Examining the Properties of Low-luminosity Hosts of Type Ia Supernovae from ASAS-SN
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Thomas W.-S. Holoien↗
SEARCH · Engineering Papers
Results for “SN”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Dramatic Rebrightening of the Type-changing Stripped-envelope Supernova SN 2023aew
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Yashvi Sharma↗
SN 2015bp: adding to the growing population of transitional Type Ia supernovae
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Shubham Srivastav↗
The exceptional X-ray evolution of SN 1996cr in high resolution
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J Quirola-Vásquez↗
E 2 collectivity in shell-model calculations for odd-mass nuclei near 132 Sn
Shell-model calculations for 127,129In and 129,131Sb are presented, and interpreted in the context of the particle-core coupling scheme, wherein proton g9/2 holes or g7/2 particles are added to semimagic 128,130Sn cores. These results indicate that the particle-core coupling scheme is appropriate for the Sb isotopes, whilst less so for the In isotopes. B(E2) excitation strengths are also calculated, and show evidence of enhanced collectivity in both Sb isotopes, especially 131Sb. This observation suggests that 131Sb would be an excellent case for an experimental study seeking to investigate the early onset of collectivity near 132Sn.
Gray, Tim↗
Synthesis of N-type thermoelectric materials, including Mg--Sn--Ge materials, and methods for fabrication thereof
Discussed herein are systems and methods for fabrication of MgSnGe-based thermoelectric materials for applications from room temperature and near room temperature to high temperature applications. The TE materials may be fabricated by hand or ball milling a powder to a predetermined particle size and hot-pressing the milled powder to form a thermoelectric component with desired properties including a figure of merit (ZT) over a temperature range. The TE materials fabricated may be disposed in thermoelectric devices for varying applications.
Ren, Zhifeng↗
Effect of substrate temperature on the growth of Nb$_3$Sn film on Nb by multilayer sputtering
Nb3Sn films were fabricated by multilayer sequential sputtering on Nb substrates at substrate temperatures ranging from room temperature to 250 °C. The film material properties were characterized by X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, atomic force microscopy, and transmission electron microscopy. The films’ superconducting properties were studied by four-point probe resistivity measurements from room temperature to below the superconducting critical temperature Tc. The highest Tc was17.76 K, when the multilayers were deposited at room temperature. A superconducting Nb3Sn thin film with a smoother surface morphology but a lower Tc of 17.58 K was obtained on the film deposited at a substrate temperature of 250 °C.
Sayeed, Md. Nizam↗
An Impartial Perspective for Superconducting Nb$_3$Sn coated Copper RF Cavities for Future Linear Accelerators
This Snowmass21 Contributed Paper encourages the Particle Physics community in fostering R&D in Superconducting Nb3Sn coated Copper RF Cavities instead of costly bulk Niobium. It describes the pressing need to devote effort in this direction, which would deliver higher gradient and higher temperature of operation and reduce the overall capital and operational costs of any future collider. It is unlikely that an ILC will be built in the next ten years with Nb as one of the main cost drivers of SRFs. This paper provides strong arguments on the benefits of using this time for R&D on producing Nb3Sn on inexpensive and thermally efficient metals such as Cu or bronze, while pursuing in parallel the novel U.S. concept of parallel-feed RF accelerator structures. A technology that synergistically uses both of these advanced tools would make an ILC or equivalent machines more affordable and more likely to be built. Such a successful enterprise would readily apply to other HEP accelerators, for instance a Muon Collider, and to accelerators beyond HEP. We present and assess current efforts in the U.S. on the novel concept of parallel-feed RF accelerator structures, and in the U.S. and abroad in producing Nb3Sn films on either Cu or bronze despite minimal funding.
43 PARTICLE ACCELERATORS↗
Nb$_3$Sn Superconducting Radiofrequency Cavities: a Maturing Technology for Particle Accelerators and Detectors
Nb3Sn superconducting radiofrequency (SRF) cavities have substantial potential for enabling new performance capabilities for particle accelerators for high energy physics (HEP), as well as for RF cavity-based detectors for dark matter, gravitational waves, and other quantum sensing applications. Outside of HEP, Nb3Sn SRF cavities can also benefit accelerators for nuclear physics, basic energy sciences, and the industry. In this contribution to Snowmass 2021, we overview the potential, status, and outlook of Nb3Sn SRF cavities.
43 PARTICLE ACCELERATORS↗
Fe 3– x InSn x O 6 ( x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
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99 GENERAL AND MISCELLANEOUS↗
OVERVIEW OF RECENT COMPATIBILITY ASSESSMENTS IN FLOWING EXPERIMENTS: Sn, Li, Pb-Li AND MOLTEN SALTS
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Pint, Bruce↗
Materials Data on Mg2Co3Sn10 by Materials Project
Mg2Co3Sn10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are one shorter (3.05 Å) and two longer (3.07 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.04–3.25 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are one shorter (3.05 Å) and two longer (3.11 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.04–3.25 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. All Mg–Co bond lengths are 3.07 Å. There are a spread of Mg–Sn bond distances ranging from 2.99–3.28 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are two shorter (3.06 Å) and one longer (3.07 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.00–3.28 Å. In the fifth Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. There are one shorter (2.85 Å) and one longer (2.87 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.03–3.24 Å. In the sixth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.88 Å. There are a spread of Mg–Sn bond distances ranging from 3.03–3.22 Å. In the seventh Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. Both Mg–Co bond lengths are 2.87 Å. There are a spread of Mg–Sn bond distances ranging from 3.03–3.24 Å. In the eighth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.87 Å. There are a spread of Mg–Sn bond distances ranging from 3.04–3.21 Å. In the ninth Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.02–3.23 Å. In the tenth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.89 Å. There are a spread of Mg–Sn bond distances ranging from 3.02–3.24 Å. In the eleventh Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.03–3.23 Å. In the twelfth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.90 Å. There are a spread of Mg–Sn bond distances ranging from 3.02–3.23 Å. There are sixteen inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.82 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.63–2.81 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.79 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.64–2.78 Å. In the fifth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.75 Å. In the sixth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.74 Å. In the seventh Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.75 Å. In the eighth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.74 Å. In the ninth Co site, Co is bonded to six Sn atoms to form distorted CoSn6 pentagonal pyramids that share a cornercorner with one CoSn7 pentagonal bipyramid, corners with three CoSn6 pentagonal pyramids, and corners with two equivalent CoSn5 trigonal bipyramids. There are a spread of Co–Sn bond distances ranging from 2.57–2.69 Å. In the tenth Co site, Co is bonded to five Sn atoms to form distorted corner-sharing CoSn5 trigonal bipyramids. There are a spread of Co–Sn bond distances ranging from 2.51–2.66 Å. In the eleventh Co site, Co is bonded to six Sn atoms to form distorted CoSn6 pentagonal pyramids that share a cornercorner with one CoSn7 pentagonal bipyramid, corners with three CoSn6 pentagonal pyramids, and an edgeedge with one CoSn7 pentagonal bipyramid. There are a spread of Co–Sn bond distances ranging from 2.53–2.76 Å. In the twelfth Co site, Co is bonded to seven Sn atoms to form a mixture of distorted corner and edge-sharing CoSn7 pentagonal bipyramids. There are a spread of Co–Sn bond distances ranging from 2.60–2.84 Å. In the thirteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.82 Å. In the fourteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.82 Å. In the fifteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.81 Å. In the sixteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.81 Å. There are fifty-five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the eighth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the ninth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the tenth Sn site, Sn is bonded in a distorted trigonal pyramidal geometry to three Co and one Sn atom. The Sn–Sn bond length is 3.13 Å. In the eleventh Sn site, Sn is bonded in a 3-coordinate geometry to three Co and three Sn atoms. There are one shorter (2.96 Å) and two longer (3.01 Å) Sn–Sn bond lengths. In the twelfth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and four Sn atoms. There are one shorter (2.93 Å) and three longer (3.03 Å) Sn–Sn bond lengths. In the thirteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.92–3.04 Å. In the fourteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the fifteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the sixteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the seventeenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the eighteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the nineteenth Sn site, Sn is bonded in a 2-coordinate geometry to two Co atoms. In the twentieth Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Co atoms. In the twenty-first Sn site, Sn is bonded in a 2-coordinate geometry to two Co atoms. In the twenty-second Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Co atoms. In the twenty-third Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two Co atoms. In the twenty-fourth Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the twenty-fifth Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two Co atoms. In the twenty-sixth Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the twenty-seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the twenty-eighth Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the twenty-ninth Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the thirtieth Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the thirty-first Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the thirty-second Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the thirty-third Sn site, Sn is bonded in a single-bond geometry to one Mg atom. In the thirty-fourth Sn site, Sn is bonded in a single-bond geometry to one Mg atom. In the thirty-fifth Sn site, Sn is bonded in a distorted single-bond geometry to one Mg atom. In the thirty-sixth Sn site, Sn is bonded in a distorted single-bond geometry to one Mg atom. In the thirty-seventh Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the thirty-eighth Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the thirty-ninth Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the fortieth Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the forty-first Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-second Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-third Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-fifth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the forty-sixth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the forty-seventh Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the forty-eighth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the forty-ninth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. In the fiftieth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. In the fifty-first Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. In the fifty-second Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. In the fifty-third Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fifty-fourth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fifty-fifth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms.
36 MATERIALS SCIENCE↗
Materials Data on Na7Sn12 by Materials Project
Na7Sn12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are fourteen inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.22–3.74 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.23–3.79 Å. In the third Na site, Na is bonded in a 4-coordinate geometry to five Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.24–3.66 Å. In the fourth Na site, Na is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.22–3.58 Å. In the fifth Na site, Na is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.20–3.58 Å. In the sixth Na site, Na is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.20–3.61 Å. In the seventh Na site, Na is bonded in a 4-coordinate geometry to seven Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.23–3.69 Å. In the eighth Na site, Na is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.30–3.67 Å. In the ninth Na site, Na is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.28–3.74 Å. In the tenth Na site, Na is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.30–3.75 Å. In the eleventh Na site, Na is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.36–3.77 Å. In the twelfth Na site, Na is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.21–3.64 Å. In the thirteenth Na site, Na is bonded in a 5-coordinate geometry to seven Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.23–3.74 Å. In the fourteenth Na site, Na is bonded in a 4-coordinate geometry to four Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.04–3.29 Å. There are twenty-four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Na and two Sn atoms. Both Sn–Sn bond lengths are 2.98 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven Na and two Sn atoms. There are one shorter (2.97 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 5-coordinate geometry to one Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–2.93 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to one Na and four Sn atoms. There are one shorter (2.89 Å) and three longer (2.92 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.92–3.03 Å. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to two Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.91–3.01 Å. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. The Sn–Sn bond length is 2.97 Å. In the eighth Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. The Sn–Sn bond length is 2.97 Å. In the ninth Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Sn–Sn bond lengths. In the tenth Sn site, Sn is bonded in a 6-coordinate geometry to three Na and three Sn atoms. There are one shorter (2.91 Å) and one longer (2.94 Å) Sn–Sn bond lengths. In the eleventh Sn site, Sn is bonded in a 1-coordinate geometry to three Na and four Sn atoms. Both Sn–Sn bond lengths are 2.95 Å. In the twelfth Sn site, Sn is bonded in a 1-coordinate geometry to four Na and four Sn atoms. There are one shorter (2.96 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the thirteenth Sn site, Sn is bonded in a 2-coordinate geometry to four Na and four Sn atoms. Both Sn–Sn bond lengths are 2.98 Å. In the fourteenth Sn site, Sn is bonded in a 10-coordinate geometry to seven Na and three Sn atoms. There are one shorter (2.98 Å) and one longer (3.34 Å) Sn–Sn bond lengths. In the fifteenth Sn site, Sn is bonded in a 2-coordinate geometry to five Na and three Sn atoms. There are one shorter (2.98 Å) and one longer (3.23 Å) Sn–Sn bond lengths. In the sixteenth Sn site, Sn is bonded in a 6-coordinate geometry to two Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.91–2.96 Å. In the seventeenth Sn site, Sn is bonded in a 6-coordinate geometry to two Na and four Sn atoms. In the eighteenth Sn site, Sn is bonded in a 6-coordinate geometry to two Na and four Sn atoms. In the nineteenth Sn site, Sn is bonded in a 1-coordinate geometry to four Na and four Sn atoms. There are one shorter (2.99 Å) and one longer (3.05 Å) Sn–Sn bond lengths. In the twentieth Sn site, Sn is bonded in a 1-coordinate geometry to four Na and four Sn atoms. The Sn–Sn bond length is 3.03 Å. In the twenty-first Sn site, Sn is bonded in a 10-coordinate geometry to seven Na and three Sn atoms. In the twenty-second Sn site, Sn is bonded in a 9-coordinate geometry to six Na and three Sn atoms. In the twenty-third Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. In the twenty-fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms.
36 MATERIALS SCIENCE↗
Materials Data on K2LiSn4 by Materials Project
K2LiSn4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are ten inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to six Sn atoms. There are a spread of K–Sn bond distances ranging from 3.49–4.04 Å. In the second K site, K is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of K–Sn bond distances ranging from 3.70–4.10 Å. In the third K site, K is bonded to five Sn atoms to form distorted corner-sharing KSn5 tetrahedra. There are a spread of K–Sn bond distances ranging from 3.52–4.01 Å. In the fourth K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.54–3.96 Å. In the fifth K site, K is bonded in a 5-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.74–4.13 Å. In the sixth K site, K is bonded to five Sn atoms to form distorted corner-sharing KSn5 trigonal bipyramids. There are a spread of K–Sn bond distances ranging from 3.68–3.82 Å. In the seventh K site, K is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of K–Sn bond distances ranging from 3.60–3.81 Å. In the eighth K site, K is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of K–Sn bond distances ranging from 3.61–3.73 Å. In the ninth K site, K is bonded in a 2-coordinate geometry to eight Sn atoms. There are a spread of K–Sn bond distances ranging from 3.54–4.09 Å. In the tenth K site, K is bonded in a 4-coordinate geometry to six Sn atoms. There are a spread of K–Sn bond distances ranging from 3.76–4.11 Å. There are four inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.89–3.22 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.93–3.04 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.90–3.08 Å. In the fourth Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.90–3.22 Å. There are sixteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three K, two Li, and four Sn atoms. There are one shorter (3.03 Å) and three longer (3.07 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four K, one Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.00–3.09 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to four K, one Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.03–3.07 Å. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three K, two Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.04–3.10 Å. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to four K, one Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.02–3.08 Å. In the sixth Sn site, Sn is bonded in a 9-coordinate geometry to three K, two Li, and four Sn atoms. There are two shorter (3.05 Å) and one longer (3.08 Å) Sn–Sn bond lengths. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to two K, two Li, and four Sn atoms. The Sn–Sn bond length is 3.09 Å. In the eighth Sn site, Sn is bonded in a 3-coordinate geometry to one K, two Li, and four Sn atoms. There are one shorter (3.03 Å) and two longer (3.07 Å) Sn–Sn bond lengths. In the ninth Sn site, Sn is bonded in a 1-coordinate geometry to four K, one Li, and four Sn atoms. The Sn–Sn bond length is 3.03 Å. In the tenth Sn site, Sn is bonded in a 9-coordinate geometry to four K, one Li, and four Sn atoms. There are one shorter (3.01 Å) and one longer (3.09 Å) Sn–Sn bond lengths. In the eleventh Sn site, Sn is bonded in a 8-coordinate geometry to three K, one Li, and four Sn atoms. The Sn–Sn bond length is 3.08 Å. In the twelfth Sn site, Sn is bonded in a 8-coordinate geometry to three K, one Li, and four Sn atoms. The Sn–Sn bond length is 3.05 Å. In the thirteenth Sn site, Sn is bonded in a 2-coordinate geometry to two K, two Li, and three Sn atoms. The Sn–Sn bond length is 3.07 Å. In the fourteenth Sn site, Sn is bonded in a 9-coordinate geometry to four K, one Li, and four Sn atoms. The Sn–Sn bond length is 3.02 Å. In the fifteenth Sn site, Sn is bonded in a 2-coordinate geometry to two K, two Li, and three Sn atoms. In the sixteenth Sn site, Sn is bonded in a 4-coordinate geometry to three K, two Li, and four Sn atoms.
36 MATERIALS SCIENCE↗
Materials Data on Rb16Sn16F47 by Materials Project
Rb16Sn16F47 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.82–2.91 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.24 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.26 Å. In the fourth Rb site, Rb is bonded in a 7-coordinate geometry to eight F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.37 Å. In the fifth Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.77–3.32 Å. In the sixth Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.86–3.22 Å. In the seventh Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.22 Å. In the eighth Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.78–2.91 Å. In the ninth Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.77–2.91 Å. In the tenth Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.17 Å. In the eleventh Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.21 Å. In the twelfth Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.78–3.31 Å. In the thirteenth Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.79–2.89 Å. In the fourteenth Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.22 Å. In the fifteenth Rb site, Rb is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.21 Å. In the sixteenth Rb site, Rb is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Rb–F bond distances ranging from 2.80–2.95 Å. There are sixteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.30 Å. In the second Sn site, Sn is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of Sn–F bond distances ranging from 2.10–2.41 Å. In the third Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.07–2.35 Å. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.31 Å. In the fifth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.31 Å. In the sixth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.08–2.41 Å. In the seventh Sn site, Sn is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.05–2.31 Å. In the eighth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.27 Å. In the ninth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.28 Å. In the tenth Sn site, Sn is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.05–2.32 Å. In the eleventh Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.08–2.35 Å. In the twelfth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.10–2.29 Å. In the thirteenth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.29 Å. In the fourteenth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.08–2.35 Å. In the fifteenth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.05–2.34 Å. In the sixteenth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of Sn–F bond distances ranging from 2.10–2.30 Å. There are forty-seven inequivalent F sites. In the first F site, F is bonded in a 1-coordinate geometry to three Rb and one Sn atom. In the second F site, F is bonded to two Rb and two Sn atoms to form distorted FRb2Sn2 trigonal pyramids that share corners with two FRb3Sn tetrahedra, a cornercorner with one FRb2Sn2 trigonal pyramid, and an edgeedge with one FRb3Sn tetrahedra. In the third F site, F is bonded in a 4-coordinate geometry to two Rb and two Sn atoms. In the fourth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the fifth F site, F is bonded to three Rb and one Sn atom to form distorted FRb3Sn tetrahedra that share corners with three FRb3Sn tetrahedra and corners with two FRb2Sn2 trigonal pyramids. In the sixth F site, F is bonded in a 1-coordinate geometry to four Rb and one Sn atom. In the seventh F site, F is bonded to three Rb and one Sn atom to form distorted FRb3Sn tetrahedra that share a cornercorner with one FRb3Sn tetrahedra and corners with two FRb2Sn2 trigonal pyramids. In the eighth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the ninth F site, F is bonded in a 4-coordinate geometry to two Rb and two Sn atoms. In the tenth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the eleventh F site, F is bonded to two Rb and two Sn atoms to form distorted FRb2Sn2 trigonal pyramids that share corners with four FRb3Sn tetrahedra and a cornercorner with one FRb2Sn2 trigonal pyramid. In the twelfth F site, F is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Sn atoms. In the thirteenth F site, F is bonded in a 1-coordinate geometry to three Rb and one Sn atom. In the fourteenth F site, F is bonded in a 4-coordinate geometry to two Rb and two Sn atoms. In the fifteenth F site, F is bonded in a 3-coordinate geometry to two Rb and one Sn atom. In the sixteenth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the seventeenth F site, F is bonded to three Rb and one Sn atom to form distorted FRb3Sn tetrahedra that share corners with three FRb3Sn tetrahedra, a cornercorner with one FRb2Sn2 trigonal pyramid, and edges with two FRb2Sn2 tetrahedra. In the eighteenth F site, F is bonded in a 1-coordinate geometry to four Rb and one Sn atom. In the nineteenth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the twentieth F site, F is bonded to three Rb and one Sn atom to form distorted FRb3Sn tetrahedra that share corners with two FRb3Sn tetrahedra and edges with three FRb2Sn2 tetrahedra. In the twenty-first F site, F is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Sn atoms. In the twenty-second F site, F is bonded in a 5-coordinate geometry to four Rb and one Sn atom. In the twenty-third F site, F is bonded to two Rb and two Sn atoms to form distorted FRb2Sn2 tetrahedra that share corners with three FRb2Sn2 tetrahedra and edges with two FRb3Sn tetrahedra. In the twenty-fourth F site, F is bonded to two Rb and two Sn atoms to form distorted FRb2Sn2 tetrahedra that share corners with two FRb3Sn tetrahedra, a cornercorner with one FRb2Sn2 trigonal pyramid, and edges with two FRb3Sn tetrahedra. In the twenty-fifth F site, F is bonded in a 5-coordinate geometry to four Rb and one Sn atom. In the twenty-sixth F site, F is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Sn atoms. In the twenty-seventh F site, F is bonded to three Rb and one Sn atom to form distorted FRb3Sn tetrahedra that share corners with two FRb2Sn2 tetrahedra and edges with three FRb3Sn tetrahedra. In the twenty-eighth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the twenty-ninth F site, F is bonded in a 1-coordinate geometry to four Rb and one Sn atom. In the thirtieth F site, F is bonded to three Rb and one Sn atom to form distorted FRb3Sn tetrahedra that share corners with three FRb2Sn2 tetrahedra and edges with two FRb3Sn tetrahedra. In the thirty-first F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the thirty-second F site, F is bonded in a 3-coordinate geometry to two Rb and one Sn atom. In the thirty-third F site, F is bonded in a 4-coordinate geometry to two Rb and two Sn atoms. In the thirty-fourth F site, F is bonded in a 1-coordinate geometry to three Rb and one Sn atom. In the thirty-fifth F site, F is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Sn atoms. In the thirty-sixth F site, F is bonded to two Rb and two Sn atoms to form distorted corner-sharing FRb2Sn2 tetrahedra. In the thirty-seventh F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the thirty-eighth F site, F is bonded in a 4-coordinate geometry to two Rb and two Sn atoms. In the thirty-ninth F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the fortieth F site, F is bonded to three Rb and one Sn atom to form a mixture of distorted corner and edge-sharing FRb3Sn tetrahedra. In the forty-first F site, F is bonded in a 1-coordinate geometry to four Rb and one Sn atom. In the forty-second F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the forty-third F site, F is bonded in a 4-coordinate geometry to three Rb and one Sn atom. In the forty-fourth F site, F is bonded in a 3-coordinate geometry to two Rb and one Sn atom. In the forty-fifth F site, F is bonded in a 4-coordinate geometry to two Rb and two Sn atoms. In the forty-sixth F site, F is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Sn atoms. In the forty-seventh F site, F is bonded in a 1-coordinate geometry to four Rb and one Sn atom.
36 MATERIALS SCIENCE↗
Materials Data on Rb2LiSn4 by Materials Project
Rb2LiSn4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.88–4.08 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.79–4.12 Å. In the third Rb site, Rb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.65–4.13 Å. In the fourth Rb site, Rb is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.78–3.97 Å. In the fifth Rb site, Rb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.63–4.05 Å. In the sixth Rb site, Rb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.60–4.06 Å. In the seventh Rb site, Rb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.89–4.13 Å. In the eighth Rb site, Rb is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.70–3.94 Å. There are four inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.94–3.20 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.92–3.13 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.92–3.23 Å. In the fourth Li site, Li is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Li–Sn bond distances ranging from 2.95–3.13 Å. There are sixteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Rb, two Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.02–3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two Rb, two Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.05–3.09 Å. In the third Sn site, Sn is bonded in a 3-coordinate geometry to two Rb, two Li, and two Sn atoms. There are one shorter (3.02 Å) and one longer (3.08 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to two Rb, two Li, and three Sn atoms. There are one shorter (3.03 Å) and two longer (3.08 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to three Rb, one Li, and four Sn atoms. There are one shorter (3.00 Å) and one longer (3.10 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded in a 9-coordinate geometry to four Rb, one Li, and four Sn atoms. There are one shorter (3.02 Å) and one longer (3.09 Å) Sn–Sn bond lengths. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to three Rb, two Li, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.02–3.09 Å. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to three Rb, one Li, and four Sn atoms. There are one shorter (3.01 Å) and one longer (3.05 Å) Sn–Sn bond lengths. In the ninth Sn site, Sn is bonded in a 2-coordinate geometry to two Rb, two Li, and two Sn atoms. There are one shorter (3.05 Å) and one longer (3.08 Å) Sn–Sn bond lengths. In the tenth Sn site, Sn is bonded in a 1-coordinate geometry to three Rb, one Li, and one Sn atom. In the eleventh Sn site, Sn is bonded in a 4-coordinate geometry to two Rb, two Li, and four Sn atoms. The Sn–Sn bond length is 3.04 Å. In the twelfth Sn site, Sn is bonded in a 1-coordinate geometry to three Rb, one Li, and four Sn atoms. There are one shorter (3.01 Å) and one longer (3.05 Å) Sn–Sn bond lengths. In the thirteenth Sn site, Sn is bonded in a 9-coordinate geometry to four Rb, one Li, and four Sn atoms. In the fourteenth Sn site, Sn is bonded in a 9-coordinate geometry to four Rb, one Li, and four Sn atoms. In the fifteenth Sn site, Sn is bonded in a 9-coordinate geometry to four Rb, one Li, and four Sn atoms. In the sixteenth Sn site, Sn is bonded in a 2-coordinate geometry to two Rb, two Li, and two Sn atoms.
36 MATERIALS SCIENCE↗
Materials Data on Nd(MnSn)6 by Materials Project
Nd(MnSn)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the second Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the third Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.03–3.21 Å. There are eighteen inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.85 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.87 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the tenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.86 Å. In the eleventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the twelfth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the thirteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the fourteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the fifteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the seventeenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.87 Å. In the eighteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. There are eighteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the ninth Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the tenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the eleventh Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the twelfth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the thirteenth Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the fifteenth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the sixteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the seventeenth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the eighteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom.
36 MATERIALS SCIENCE↗
Materials Data on Na20Zn8Sn11 by Materials Project
Na20Zn8Sn11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are twenty inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to one Na, four Zn, and five Sn atoms. The Na–Na bond length is 3.65 Å. There are a spread of Na–Zn bond distances ranging from 3.23–3.38 Å. There are a spread of Na–Sn bond distances ranging from 3.19–3.64 Å. In the second Na site, Na is bonded in a 1-coordinate geometry to five Zn and four Sn atoms. There are a spread of Na–Zn bond distances ranging from 3.25–3.32 Å. There are a spread of Na–Sn bond distances ranging from 3.20–3.49 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to one Na, three Zn, and five Sn atoms. The Na–Na bond length is 3.70 Å. There are a spread of Na–Zn bond distances ranging from 3.25–3.37 Å. There are a spread of Na–Sn bond distances ranging from 3.21–3.51 Å. In the fourth Na site, Na is bonded in a 8-coordinate geometry to four Zn and four Sn atoms. There are a spread of Na–Zn bond distances ranging from 3.25–3.37 Å. There are a spread of Na–Sn bond distances ranging from 3.24–3.48 Å. In the fifth Na site, Na is bonded in a 2-coordinate geometry to three Zn and six Sn atoms. There are a spread of Na–Zn bond distances ranging from 3.31–3.35 Å. There are a spread of Na–Sn bond distances ranging from 3.19–3.65 Å. In the sixth Na site, Na is bonded in a 9-coordinate geometry to five Zn and four Sn atoms. There are a spread of Na–Zn bond distances ranging from 3.18–3.30 Å. There are a spread of Na–Sn bond distances ranging from 3.20–3.51 Å. In the seventh Na site, Na is bonded in a distorted trigonal planar geometry to one Zn and two Sn atoms. The Na–Zn bond length is 2.97 Å. There are one shorter (3.14 Å) and one longer (3.18 Å) Na–Sn bond lengths. In the eighth Na site, Na is bonded in a distorted trigonal planar geometry to one Na, one Zn, and two Sn atoms. The Na–Na bond length is 3.40 Å. The Na–Zn bond length is 2.97 Å. There are one shorter (3.15 Å) and one longer (3.17 Å) Na–Sn bond lengths. In the ninth Na site, Na is bonded in a 5-coordinate geometry to one Na, one Zn, and four Sn atoms. The Na–Na bond length is 3.50 Å. The Na–Zn bond length is 3.25 Å. There are a spread of Na–Sn bond distances ranging from 3.28–3.43 Å. In the tenth Na site, Na is bonded in a 5-coordinate geometry to one Zn and four Sn atoms. The Na–Zn bond length is 3.35 Å. There are a spread of Na–Sn bond distances ranging from 3.28–3.46 Å. In the eleventh Na site, Na is bonded to four Sn atoms to form distorted NaSn4 tetrahedra that share corners with two equivalent ZnNa5Sn2 octahedra, corners with three NaSn4 tetrahedra, and edges with two NaNaSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–85°. There are a spread of Na–Sn bond distances ranging from 3.30–3.50 Å. In the twelfth Na site, Na is bonded to four Sn atoms to form distorted NaSn4 tetrahedra that share corners with two equivalent ZnNa5Sn2 octahedra, corners with three NaNaSn4 tetrahedra, and edges with two NaSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–85°. There are a spread of Na–Sn bond distances ranging from 3.31–3.51 Å. In the thirteenth Na site, Na is bonded in a 4-coordinate geometry to one Na, one Zn, and five Sn atoms. The Na–Na bond length is 3.57 Å. The Na–Zn bond length is 3.44 Å. There are a spread of Na–Sn bond distances ranging from 3.36–3.54 Å. In the fourteenth Na site, Na is bonded in a 5-coordinate geometry to two Zn and four Sn atoms. There are one shorter (3.39 Å) and one longer (3.51 Å) Na–Zn bond lengths. There are a spread of Na–Sn bond distances ranging from 3.34–3.42 Å. In the fifteenth Na site, Na is bonded in a 5-coordinate geometry to one Na, two Zn, and four Sn atoms. The Na–Na bond length is 3.55 Å. There are one shorter (3.31 Å) and one longer (3.54 Å) Na–Zn bond lengths. There are a spread of Na–Sn bond distances ranging from 3.28–3.40 Å. In the sixteenth Na site, Na is bonded in a 6-coordinate geometry to two Zn and four Sn atoms. There are one shorter (3.35 Å) and one longer (3.44 Å) Na–Zn bond lengths. There are a spread of Na–Sn bond distances ranging from 3.32–3.42 Å. In the seventeenth Na site, Na is bonded in a 5-coordinate geometry to seven Na, three Zn, and four Sn atoms. The Na–Na bond length is 3.80 Å. There are a spread of Na–Zn bond distances ranging from 3.27–3.66 Å. There are a spread of Na–Sn bond distances ranging from 3.34–3.43 Å. In the eighteenth Na site, Na is bonded in a 4-coordinate geometry to two Zn and four Sn atoms. There are one shorter (3.41 Å) and one longer (3.45 Å) Na–Zn bond lengths. There are a spread of Na–Sn bond distances ranging from 3.35–3.40 Å. In the nineteenth Na site, Na is bonded to one Na and four Sn atoms to form distorted NaNaSn4 tetrahedra that share a cornercorner with one ZnNa5Sn2 octahedra, corners with three NaSn4 tetrahedra, an edgeedge with one ZnNa5Sn2 octahedra, and edges with two NaSn4 tetrahedra. The corner-sharing octahedral tilt angles are 85°. There are a spread of Na–Sn bond distances ranging from 3.31–3.55 Å. In the twentieth Na site, Na is bonded to four Sn atoms to form distorted NaSn4 tetrahedra that share corners with two equivalent ZnNa5Sn2 octahedra, corners with three NaSn4 tetrahedra, and edges with two NaNaSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–85°. There are a spread of Na–Sn bond distances ranging from 3.32–3.54 Å. There are eight inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to five Na, two Zn, and four Sn atoms. There are one shorter (2.78 Å) and one longer (2.82 Å) Zn–Zn bond lengths. There are a spread of Zn–Sn bond distances ranging from 2.80–2.99 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to five Na, three Zn, and three Sn atoms. There are a spread of Zn–Zn bond distances ranging from 2.82–2.87 Å. There are two shorter (2.83 Å) and one longer (2.87 Å) Zn–Sn bond lengths. In the third Zn site, Zn is bonded to five Na and two Sn atoms to form distorted ZnNa5Sn2 octahedra that share a cornercorner with one SnNa9Zn3 cuboctahedra, corners with seven NaSn4 tetrahedra, and an edgeedge with one NaNaSn4 tetrahedra. Both Zn–Sn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to five Na, two Zn, and four Sn atoms. The Zn–Zn bond length is 2.73 Å. There are a spread of Zn–Sn bond distances ranging from 2.84–2.91 Å. In the fifth Zn site, Zn is bonded in a 11-coordinate geometry to five Na, two Zn, and four Sn atoms. The Zn–Zn bond length is 2.83 Å. There are a spread of Zn–Sn bond distances ranging from 2.84–2.91 Å. In the sixth Zn site, Zn is bonded in a 11-coordinate geometry to five Na, one Zn, and five Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.66–3.09 Å. In the seventh Zn site, Zn is bonded in a 11-coordinate geometry to five Na, three Zn, and three Sn atoms. There are one shorter (2.72 Å) and one longer (2.85 Å) Zn–Zn bond lengths. There are a spread of Zn–Sn bond distances ranging from 2.70–2.93 Å. In the eighth Zn site, Zn is bonded in a 11-coordinate geometry to five Na, four Zn, and two Sn atoms. The Zn–Zn bond length is 2.69 Å. There are one shorter (2.85 Å) and one longer (2.88 Å) Zn–Sn bond lengths. There are eleven inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to nine Na and one Zn atom. In the second Sn site, Sn is bonded in a 10-coordinate geometry to nine Na and one Zn atom. In the third Sn site, Sn is bonded in a 11-coordinate geometry to five Na, three Zn, and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.97–3.00 Å. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to eight Na and one Zn atom. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to eight Na and one Zn atom. In the sixth Sn site, Sn is bonded in a 11-coordinate geometry to six Na, four Zn, and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the seventh Sn site, Sn is bonded in a 11-coordinate geometry to six Na, four Zn, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the eighth Sn site, Sn is bonded in a 12-coordinate geometry to nine Na, two Zn, and one Sn atom. In the ninth Sn site, Sn is bonded to nine Na and three Zn atoms to form SnNa9Zn3 cuboctahedra that share a cornercorner with one ZnNa5Sn2 octahedra and edges with three equivalent SnNa9Zn3 cuboctahedra. The corner-sharing octahedral tilt angles are 67°. In the tenth Sn site, Sn is bonded in a 11-coordinate geometry to six Na, three Zn, and two Sn atoms. In the eleventh Sn site, Sn is bonded in a 11-coordinate geometry to six Na, four Zn, and one Sn atom.
36 MATERIALS SCIENCE↗