Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sn(CO)4”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

136 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

P-Type Doping of Mixed Tin–Lead Halide Perovskites Using Electron Transfer to Mo(tfd-COCF3) 3 and F 4 TCNQ

Mixed tin-lead halide perovskites are emerging as promising candidates to address the toxicity issues of lead-based perovskites and to provide additional bandgap tunability for optoelectronic applications. Electron-transfer doping offers a prospective pathway to modulate electronic properties of metal-halide perovskites, while not disturbing the underlying crystal structure. However, limited research exists comparing molecular dopants for these systems. Here, our study investigates the p-type electron-transfer doping of the mixed tin-lead halide perovskite MAPb 0.5 Sn 0.5 I 3 (MA = methylammonium) using a sequential deposition approach (perovskite film followed by dopant incorporation) and the molecular dopants F 4 TCNQ and Mo(tfd-COCF 3 ) 3 . Up to 3 orders of magnitude higher carrier density and up to 2 orders of magnitude greater conductivity are achieved relative to the undoped samples, with F 4 TCNQ and Mo(tfd-COCF 3 ) 3 demonstrating similar doping efficiencies (associated with the ratio of mobile charges added to the number of dopant molecules incorporated) of 0.031(3) % and 0.024(3) %, respectively. Differences in the doping effectiveness for a given molarity doping solution likely follow from variations in dopant incorporation within the film during the spin coating deposition step.

14 SOLAR ENERGY↗
DOE OSTI2020

Materials Data on Li4Mn3Co3(SnO8)2 by Materials Project

Li4Mn3Co3(SnO8)2 is Spinel-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SnO6 octahedra, corners with four CoO6 octahedra, and corners with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are a spread of Li–O bond distances ranging from 1.92–2.07 Å. In the second Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.82–1.93 Å. In the third Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.81–1.93 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SnO6 octahedra, corners with four MnO6 octahedra, and corners with five CoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of Li–O bond distances ranging from 1.94–2.14 Å. There are three inequivalent Mn+3.67+ sites. In the first Mn+3.67+ site, Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with three LiO4 tetrahedra, an edgeedge with one SnO6 octahedra, and edges with four CoO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. In the second Mn+3.67+ site, Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with three LiO4 tetrahedra, an edgeedge with one SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There are a spread of Mn–O bond distances ranging from 1.92–1.98 Å. In the third Mn+3.67+ site, Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with three LiO4 tetrahedra, an edgeedge with one SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Mn–O bond distances ranging from 1.95–2.16 Å. There are three inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with three LiO4 tetrahedra, an edgeedge with one SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is four shorter (1.94 Å) and two longer (1.98 Å) Co–O bond length. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with three LiO4 tetrahedra, an edgeedge with one SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Co–O bond distances ranging from 1.93–1.98 Å. In the third Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with three LiO4 tetrahedra, an edgeedge with one SnO6 octahedra, and edges with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Co–O bond distances ranging from 1.93–2.01 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four MnO6 octahedra, corners with three equivalent LiO4 tetrahedra, an edgeedge with one MnO6 octahedra, and edges with two CoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Sn–O bond distances ranging from 2.04–2.17 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four CoO6 octahedra, corners with three equivalent LiO4 tetrahedra, an edgeedge with one CoO6 octahedra, and edges with two MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Sn–O bond distances ranging from 2.05–2.18 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom. In the second O2- site, O2- is bonded to one Li1+, two Co3+, and one Sn4+ atom to form distorted OLiCo2Sn tetrahedra that share corners with three OLiMnCo2 tetrahedra, an edgeedge with one OLiMnCoSn tetrahedra, and an edgeedge with one OLiMnCo2 trigonal pyramid. In the third O2- site, O2- is bonded to one Li1+, one Mn+3.67+, and two Co3+ atoms to form distorted OLiMnCo2 trigonal pyramids that share corners with five OLiMnCo2 tetrahedra, a cornercorner with one OLiMn2Sn trigonal pyramid, and edges with two OLiMnCoSn tetrahedra. In the fourth O2- site, O2- is bonded to one Li1+, one Mn+3.67+, and two Co3+ atoms to form distorted OLiMnCo2 tetrahedra that share corners with four OLiCo2Sn tetrahedra and corners with three equivalent OLiMnCo2 trigonal pyramids. In the fifth O2- site, O2- is bonded to one Li1+, two Mn+3.67+, and one Co3+ atom to form distorted OLiMn2Co tetrahedra that share corners with four OLiMnCoSn tetrahedra and corners with two equivalent OLiMn2Sn trigonal pyramids. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom. In the eighth O2- site, O2- is bonded to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom to form distorted OLiMnCoSn tetrahedra that share corners with three OLiCo2Sn tetrahedra, an edgeedge with one OLiCo2Sn tetrahedra, and an edgeedge with one OLiMnCo2 trigonal pyramid. In the ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two Co3+, and one Sn4+ atom. In the tenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two Mn+3.67+, and one Sn4+ atom. In the eleventh O2- site, O2- is bonded to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom to form distorted OLiMnCoSn tetrahedra that share corners with three OLiMn2Co tetrahedra, corners with two OLiMnCo2 trigonal pyramids, an edgeedge with one OLiMnCoSn tetrahedra, and an edgeedge with one OLiMn2Sn trigonal pyramid. In the twelfth O2- site, O2- is bonded to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom to form distorted OLiMnCoSn tetrahedra that share corners with three OLiMn2Co tetrahedra, corners with two OLiMnCo2 trigonal pyramids, an edgeedge with one OLiMnCoSn tetrahedra, and an edgeedge with one OLiMn2Sn trigonal pyramid. In the thirteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two Mn+3.67+, and one Co3+ atom. In the fourteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom. In the fifteenth O2- site, O2- is bonded to one Li1+, two Mn+3.67+, and one Sn4+ atom to form distorted OLiMn2Sn trigonal pyramids that share corners with four OLiMn2Co tetrahedra, a cornercorner with one OLiMnCo2 trigonal pyramid, and edges with two OLiMnCoSn tetrahedra. In the sixteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Mn+3.67+, one Co3+, and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr12Sn4N3 by Materials Project

Sr12Sn4N3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a single-bond geometry to four equivalent Sn and one N atom. All Sr–Sn bond lengths are 3.75 Å. The Sr–N bond length is 2.39 Å. In the second Sr site, Sr is bonded in a linear geometry to four equivalent Sn and two N atoms. All Sr–Sn bond lengths are 3.74 Å. There are one shorter (2.61 Å) and one longer (2.72 Å) Sr–N bond lengths. In the third Sr site, Sr is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All Sr–Sn bond lengths are 3.64 Å. In the fourth Sr site, Sr is bonded in a linear geometry to four Sn and two equivalent N atoms. There are two shorter (3.70 Å) and two longer (3.85 Å) Sr–Sn bond lengths. Both Sr–N bond lengths are 2.65 Å. In the fifth Sr site, Sr is bonded in a linear geometry to four equivalent Sn and two equivalent N atoms. All Sr–Sn bond lengths are 3.74 Å. Both Sr–N bond lengths are 2.64 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to twelve Sr atoms to form SnSr12 cuboctahedra that share corners with twelve SnSr12 cuboctahedra, faces with six SnSr12 cuboctahedra, and faces with four equivalent NSr6 octahedra. In the second Sn site, Sn is bonded to twelve Sr atoms to form SnSr12 cuboctahedra that share corners with twelve SnSr12 cuboctahedra, faces with six SnSr12 cuboctahedra, and faces with eight NSr6 octahedra. There are two inequivalent N sites. In the first N site, N is bonded to six Sr atoms to form NSr6 octahedra that share corners with five NSr6 octahedra and faces with eight SnSr12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second N site, N is bonded to six Sr atoms to form NSr6 octahedra that share corners with six NSr6 octahedra and faces with eight equivalent SnSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2SnC8SeO8 by Materials Project

(Co(CO)4)2SnSe crystallizes in the orthorhombic Fddd space group. The structure is zero-dimensional and consists of thirty-two Co(CO)4 clusters and eight SnSe clusters. In each Co(CO)4 cluster, Co2+ is bonded in a trigonal pyramidal geometry to four C+1.25+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In each SnSe cluster, Sn4+ is bonded in an L-shaped geometry to two equivalent Se2- atoms. Both Sn–Se bond lengths are 2.60 Å. Se2- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnSnP14 by Materials Project

ZnSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are a spread of Zn–P bond distances ranging from 2.45–2.52 Å. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.72–3.02 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.22–2.29 Å. In the second P+0.29- site, P+0.29- is bonded to one Zn2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PZnSnP2 tetrahedra. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are two shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. Both P–P bond lengths are 2.22 Å. In the sixth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.21 Å. In the seventh P+0.29- site, P+0.29- is bonded to one Zn2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PZnSnP2 tetrahedra. In the eighth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.21 Å. In the ninth P+0.29- site, P+0.29- is bonded in a 4-coordinate geometry to one Zn2+, one Sn2+, and two P+0.29- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3SnC12ClO12 by Materials Project

(Co(CO)4)3SnCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin chloride (sncl) molecules and twelve Co(CO)4 clusters. In four of the Co(CO)4 clusters, Co+1.67+ is bonded in a trigonal pyramidal geometry to four C+1.33+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In eight of the Co(CO)4 clusters, Co+1.67+ is bonded in a trigonal pyramidal geometry to four C+1.33+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1994

SN 1993J: A Type IIb supernova

The evolution of the bright Type II supernova discovered last year in M81, SN 1993J, is consistent with that expected for the explosion of a star which on the main sequence had a mass of 13-16 Solar Mass but which, owing to mass exchange with a binary companion (a intially approximately 3-5 AU, depending upon the actual presupernova radius and the masses of the two stars) lost almost all of its hydrogen-rich envelope during late helium burning. At the time of explosion, the helium core mass was 4.0 +/- 0.5 Solar Mass and the hydrogen envelope, 0.20 +/- 0.05 Solar Mass. The envelope was helium and nitrogen-rich (carbon-deficient) and the radius of the star, 4 +/- 1 x 10(exp 13) cm. The luminosity of the presupernova star was 3 + 1 x 10(exp 38) ergs/s, with the companion star contributing an additional approximately 10(exp 38) ergs/s. The star may have been a pulsating variable at the time of the explosion. For an explosion energy near 10(exp 51) ergs (KE at infinity) and an assumed distance of 3.3 Mpc, a mass of Ni-56 in the range 0.07 +/- 0.01 Solar Mass was produced and ejected. This presciption gives a light curve which compares favorably with the bolomatric observations. Color photometry is more restrictive and requires a model in which the hydrogen-envelope mass is low and the mixing of hydrogen inward has been small, but in which appreciable Ni-56 has been mixed outward into the helium and heavy-element core. It is possible to obtain good agreement with B and V light curves during the first 50 days, but later photometry, especially in bands other than B and V, will require a non-local thermo-dynamic equilibrium (LTE) spectral calculation for comparison. Based upon our model, we predict a flux of approximately 10(exp -5)(3.3 Mpc/D)(exp 2) photons/sq cm/s in the 847 keV line of CO-56 at peak during 1993 August. It may be easier to detect the Computonized continuum which peaks at a few times 10(exp -4) photons /s/sq cm/MeV at 40 keV a few months after the explosion (though neither of these signals were, or should have been, detected by the Compton Gamma-Ray observatory (CGRO). The presupernova star was filing its Roche lobe at the time of the explosion and thus its envelope was highly deformed (about 3:2). The companion star is presently embedded in the supernova, but should becopme visable at age 3 yr (perhaps earlier in the ultraviolet) when the supernova has faded below 10(exp 38) ergs/s. Indeed, if 'kicks' have not played an important role, it is still bound to the neutron star.

Woosley, S. E.↗
DOE OSTI2020

Materials Data on Co2SnC8(ClO4)2 by Materials Project

(Co(CO)4)2SnCl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 7772-99-8 molecules and eight Co(CO)4 clusters. In four of the Co(CO)4 clusters, Co2+ is bonded in a trigonal pyramidal geometry to four C+1.25+ atoms. There are a spread of Co–C bond distances ranging from 1.78–1.80 Å. There are four inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In four of the Co(CO)4 clusters, Co2+ is bonded in a trigonal pyramidal geometry to four C+1.25+ atoms. There are a spread of Co–C bond distances ranging from 1.78–1.80 Å. There are four inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2SnC9ClO9 by Materials Project

Mn(CO)5Mn(CO)4SnCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin chloride (sncl) molecules, four Mn(CO)4 clusters, and four Mn(CO)5 clusters. In each Mn(CO)4 cluster, Mn2+ is bonded in a rectangular see-saw-like geometry to four C+1.44+ atoms. There are a spread of Mn–C bond distances ranging from 1.81–1.87 Å. There are four inequivalent C+1.44+ sites. In the first C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In each Mn(CO)5 cluster, Mn2+ is bonded in a square pyramidal geometry to five C+1.44+ atoms. There are a spread of Mn–C bond distances ranging from 1.82–1.88 Å. There are five inequivalent C+1.44+ sites. In the first C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. In the fifth C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2SnC9BrO9 by Materials Project

Mn(CO)4Mn(CO)5SnBr crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bromostannane molecules, four Mn(CO)4 clusters, and four Mn(CO)5 clusters. In each Mn(CO)4 cluster, Mn2+ is bonded in a rectangular see-saw-like geometry to four C+1.44+ atoms. There are a spread of Mn–C bond distances ranging from 1.79–1.87 Å. There are four inequivalent C+1.44+ sites. In the first C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In each Mn(CO)5 cluster, Mn2+ is bonded in a square pyramidal geometry to five C+1.44+ atoms. There are a spread of Mn–C bond distances ranging from 1.84–1.88 Å. There are five inequivalent C+1.44+ sites. In the first C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.44+ site, C+1.44+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.44+ atom.

36 MATERIALS SCIENCE↗