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Growth of CdZnTe Crystals for Radiation Detector Applications by Directional Solidification

Advances in Cadmium Zinc Telluride (Cd(sub 1-x)Zn(sub x)Te) growth techniques are needed for the production of large-scale arrays of gamma and x-ray astronomy. The research objective is to develop crystal growth recipes and techniques to obtain large, high quality CdZnTe single crystal with reduced defects, such as charge trapping, twinning, and tellurium precipitates, which degrade the performance of CdZnTe and, at the same time, to increase the yield of usable material from the CdZnTe ingot. A low gravity material experiment, "Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment", will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). One section of the flight experiment is the melt growth of CdZnTe ternary compounds. This talk will focus on the ground-based studies on the growth of Cd(sub 0.80)Zn(sub 0.20)Te crystals for radiation detector applications by directional solidification. In this investigation, we have improved the properties that are most critical for the detector applications (electrical properties and crystalline quality): a) Electrical resistivity: use high purity starting materials (with reproducible impurity levels) and controlled Cd over pressure during growth to reproducibly balance the impurity levels and Cd vacancy concentration b) Crystalline quality: use ultra-clean growth ampoule (no wetting after growth), optimized thermal profile and ampoule design, as well as a technique for supercool reduction to growth large single crystal with high crystalline quality

Su, Ching-Hua↗

WIPP Safety Significant Confinement Ventilation System (SSCVS) Quality Assurance Program - 20237

Construction and major equipment fabrication are underway for a new ventilation exhaust system at the Waste Isolation Pilot Plant (WIPP). The new system will provide continuous HEPA filtration of the exhaust from the WIPP underground while meeting the ventilation demands for expanded waste emplacement and mining operations over the next 40 years. The SSCVS project has proceeded with the awarding of CD-3A for Long Lead Procurements followed by CD-2/3 approval for the construction of the facilities. The SSCVS project team made the decision to increase the quality oversight throughout the complete project per the Project Quality Assurance Plan (PQAP) such that it can ensure the final products meet applicable NQA-1 requirements and general quality requirements, and that the project will proceed to operations without significant delays due to post installation quality concerns. The PQAP was established prior to approval of the project at the CD-2/3 milestone. The SSCVS project has 2 major long lead procurements which commenced with the awarding of CD-3A. These procurements include the HEPA filter housing assemblies and the Exhaust Fans. There are 22 HEPA filter assemblies for the SSCVS, which are designated Safety Significant for pressure boundary confinement, per the approved PDSA. The exhaust fans also have Safety Significant components to maintain the pressure confinement boundary. NWP made the decision to install resident Quality Inspectors at the fabrication facilities to ensure the documentation for each fabricated unit meets all the QA requirements as defined in the respective contract documents. For the construction of the SSCVS Salt Reduction Building (SRB) and New Filter Building (NFB), dedicated, on-site quality inspectors have been utilized to ensure that all work being performed will comply with quality requirements and the Special Inspections as defined in IBC-2015. At each stage of inspection, hold points are placed into the work packages to ensure NWP QA personnel are present to inspect and verify the installations are in accordance with the design specifications, codes and standards. With this level of oversight, NWP anticipates that the level of quality related issues, as seen on multiple other DOE complex site projects, will be avoided and that the commissioning, start-up and hot operations will progress in a timely fashion, as all documentation will be in place and approved prior to initiation of these activities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Defect levels and self-compensation in iodine-doped CdTe single crystals

This study systematically documents defect levels in n-type iodine-doped cadmium telluride (CdTe:I) crystals as measured by thermoelectric effect spectroscopy, Hall-effect measurements, and photoluminescence and calculated by density functional theory. The primary donor, I Te , was identified with an activation energy of ∼0.05 eV (measured)/∼0.13 eV (calculated). Deep acceptor states, V Cd and I Te –V Cd complex, exhibited activation energies of ∼0.1 eV (measured)/∼0.19 eV (calculated) and ∼0.12 eV (measured)/∼0.24 eV (calculated), respectively. Self-compensation and Fermi level pinning were observed at ∼0.7 eV (measured)/∼1.08 eV (calculated), contributing to high resistivity in as-grown samples. Post-growth Cd annealing effectively removes compensation centers, releases iodine donors, and significantly reduces resistivity, resulting in an ideal n-type solar cell material.

Cd annealing↗

Materials Data on CdO2 by Materials Project

CdO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cd is bonded to six equivalent O atoms to form CdO6 octahedra that share corners with twelve equivalent CdO6 octahedra and corners with six equivalent OCd3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. All Cd–O bond lengths are 2.35 Å. O is bonded to three equivalent Cd and one O atom to form OCd3O tetrahedra that share corners with three equivalent CdO6 octahedra and corners with fifteen equivalent OCd3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. The O–O bond length is 1.50 Å.

36 MATERIALS SCIENCE↗

Materials Data on KCd3H8Cl7O4 by Materials Project

KCd3H6O3Cl7H2O crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two water molecules and one KCd3H6O3Cl7 sheet oriented in the (0, 0, 1) direction. In the KCd3H6O3Cl7 sheet, K1+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are one shorter (2.80 Å) and two longer (2.93 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.12–3.61 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one O2- and five Cl1- atoms to form a mixture of corner and edge-sharing CdCl5O octahedra. The corner-sharing octahedral tilt angles are 37°. The Cd–O bond length is 2.38 Å. There are a spread of Cd–Cl bond distances ranging from 2.61–2.72 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are two shorter (2.60 Å) and four longer (2.71 Å) Cd–Cl bond lengths. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one K1+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Cd2+, and two H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and two Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ba4Nd2Cd3Se10 by Materials Project

Ba4Nd2Cd3Se10 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.31–3.78 Å. In the second Ba2+ site, Ba2+ is bonded to seven Se2- atoms to form distorted BaSe7 pentagonal bipyramids that share corners with two equivalent NdSe6 octahedra, corners with two equivalent BaSe7 pentagonal bipyramids, edges with three NdSe6 octahedra, edges with three equivalent BaSe7 pentagonal bipyramids, edges with four CdSe4 tetrahedra, and faces with two equivalent BaSe7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 17°. There are a spread of Ba–Se bond distances ranging from 3.29–3.45 Å. In the third Ba2+ site, Ba2+ is bonded to seven Se2- atoms to form distorted BaSe7 pentagonal bipyramids that share corners with two equivalent NdSe6 octahedra, corners with two equivalent BaSe7 pentagonal bipyramids, corners with five CdSe4 tetrahedra, corners with two equivalent CdSe4 trigonal pyramids, edges with three NdSe6 octahedra, edges with three equivalent BaSe7 pentagonal bipyramids, an edgeedge with one CdSe4 trigonal pyramid, and faces with two equivalent BaSe7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 22°. There are a spread of Ba–Se bond distances ranging from 3.30–3.51 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.28–3.71 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six Se2- atoms to form NdSe6 octahedra that share corners with two equivalent BaSe7 pentagonal bipyramids, edges with two equivalent NdSe6 octahedra, edges with three BaSe7 pentagonal bipyramids, edges with two equivalent CdSe4 tetrahedra, and edges with two equivalent CdSe4 trigonal pyramids. There are a spread of Nd–Se bond distances ranging from 2.96–3.04 Å. In the second Nd3+ site, Nd3+ is bonded to six Se2- atoms to form NdSe6 octahedra that share corners with two equivalent BaSe7 pentagonal bipyramids, corners with three equivalent CdSe4 tetrahedra, edges with two equivalent NdSe6 octahedra, and edges with three BaSe7 pentagonal bipyramids. There are three shorter (2.97 Å) and three longer (3.00 Å) Nd–Se bond lengths. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with three equivalent NdSe6 octahedra, corners with two equivalent BaSe7 pentagonal bipyramids, corners with three CdSe4 tetrahedra, and edges with two equivalent BaSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 6–73°. There are a spread of Cd–Se bond distances ranging from 2.61–2.81 Å. In the second Cd2+ site, Cd2+ is bonded to four Se2- atoms to form distorted CdSe4 trigonal pyramids that share corners with two equivalent BaSe7 pentagonal bipyramids, corners with two equivalent CdSe4 trigonal pyramids, edges with two equivalent NdSe6 octahedra, and an edgeedge with one BaSe7 pentagonal bipyramid. There are a spread of Cd–Se bond distances ranging from 2.58–2.84 Å. In the third Cd2+ site, Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with three equivalent BaSe7 pentagonal bipyramids, corners with three CdSe4 tetrahedra, edges with two equivalent NdSe6 octahedra, and edges with two equivalent BaSe7 pentagonal bipyramids. There are a spread of Cd–Se bond distances ranging from 2.67–2.78 Å. There are ten inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Ba2+ and two equivalent Nd3+ atoms to form distorted SeBa3Nd2 trigonal bipyramids that share corners with six SeBa4Cd square pyramids, corners with two equivalent SeBa3Nd2 trigonal bipyramids, edges with two equivalent SeBa4NdCd octahedra, edges with two SeBa2NdCd2 square pyramids, and edges with three SeBa3Nd2 trigonal bipyramids. In the second Se2- site, Se2- is bonded to three Ba2+ and two equivalent Nd3+ atoms to form distorted SeBa3Nd2 trigonal bipyramids that share corners with four equivalent SeBa4Cd2 octahedra, corners with two equivalent SeBa2NdCd2 square pyramids, corners with two equivalent SeBa3Nd2 trigonal bipyramids, edges with five SeBa4Cd2 octahedra, an edgeedge with one SeBa2NdCd2 square pyramid, and edges with three SeBa3Nd2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 40–50°. In the third Se2- site, Se2- is bonded to two equivalent Ba2+, one Nd3+, and two equivalent Cd2+ atoms to form distorted SeBa2NdCd2 square pyramids that share corners with two equivalent SeBa4Cd2 octahedra, corners with three SeBa2NdCd2 square pyramids, corners with two equivalent SeBa3Nd2 trigonal bipyramids, edges with two equivalent SeBa3Nd2Cd octahedra, edges with three SeBa2NdCd2 square pyramids, and an edgeedge with one SeBa3Nd2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Se2- site, Se2- is bonded to two equivalent Ba2+, one Nd3+, and two equivalent Cd2+ atoms to form distorted SeBa2NdCd2 square pyramids that share corners with two equivalent SeBa4Cd2 octahedra, corners with three SeBa2NdCd2 square pyramids, corners with two equivalent SeBa3Nd2 trigonal bipyramids, edges with three SeBa4Cd2 octahedra, edges with two equivalent SeBa2NdCd2 square pyramids, and an edgeedge with one SeBa3Nd2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Ba2+, one Nd3+, and two equivalent Cd2+ atoms. In the sixth Se2- site, Se2- is bonded to four Ba2+ and one Cd2+ atom to form distorted SeBa4Cd square pyramids that share corners with two equivalent SeBa4NdCd octahedra, corners with four SeBa2NdCd2 square pyramids, corners with four equivalent SeBa3Nd2 trigonal bipyramids, an edgeedge with one SeBa4NdCd octahedra, edges with three SeBa2NdCd2 square pyramids, and an edgeedge with one SeBa3Nd2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 41°. In the seventh Se2- site, Se2- is bonded to four Ba2+ and two Cd2+ atoms to form distorted SeBa4Cd2 octahedra that share corners with six SeBa4NdCd octahedra, corners with four SeBa2NdCd2 square pyramids, corners with four equivalent SeBa3Nd2 trigonal bipyramids, edges with two equivalent SeBa4Cd2 octahedra, an edgeedge with one SeBa2NdCd2 square pyramid, an edgeedge with one SeBa3Nd2 trigonal bipyramid, and faces with two SeBa4NdCd octahedra. The corner-sharing octahedra tilt angles range from 41–58°. In the eighth Se2- site, Se2- is bonded to four Ba2+, one Nd3+, and one Cd2+ atom to form SeBa4NdCd octahedra that share corners with four SeBa4Cd2 octahedra, corners with two equivalent SeBa4Cd square pyramids, edges with three SeBa4NdCd octahedra, an edgeedge with one SeBa4Cd square pyramid, edges with four SeBa3Nd2 trigonal bipyramids, and a faceface with one SeBa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 22–53°. In the ninth Se2- site, Se2- is bonded in a 6-coordinate geometry to three Ba2+, two equivalent Nd3+, and one Cd2+ atom. In the tenth Se2- site, Se2- is bonded to three Ba2+, two equivalent Nd3+, and one Cd2+ atom to form distorted SeBa3Nd2Cd octahedra that share corners with six SeBa4Cd2 octahedra, edges with three SeBa4NdCd octahedra, edges with four SeBa2NdCd2 square pyramids, edges with two equivalent SeBa3Nd2 trigonal bipyramids, and a faceface with one SeBa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 22–58°.

36 MATERIALS SCIENCE↗

Materials Data on Ba4Sm2Cd3S10 by Materials Project

Ba4Sm2Cd3S10 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.17–3.68 Å. In the second Ba2+ site, Ba2+ is bonded to seven S2- atoms to form distorted BaS7 pentagonal bipyramids that share corners with two equivalent SmS6 octahedra, corners with two equivalent BaS7 pentagonal bipyramids, edges with three SmS6 octahedra, edges with three equivalent BaS7 pentagonal bipyramids, edges with two equivalent CdS4 tetrahedra, edges with two equivalent CdS4 trigonal pyramids, and faces with two equivalent BaS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 16°. There are a spread of Ba–S bond distances ranging from 3.13–3.33 Å. In the third Ba2+ site, Ba2+ is bonded to seven S2- atoms to form distorted BaS7 pentagonal bipyramids that share corners with two equivalent SmS6 octahedra, corners with two equivalent BaS7 pentagonal bipyramids, corners with two equivalent CdS4 tetrahedra, corners with five CdS4 trigonal pyramids, edges with three SmS6 octahedra, edges with three equivalent BaS7 pentagonal bipyramids, an edgeedge with one CdS4 trigonal pyramid, and faces with two equivalent BaS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 21°. There are a spread of Ba–S bond distances ranging from 3.18–3.38 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.15–3.59 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six S2- atoms to form SmS6 octahedra that share corners with two equivalent BaS7 pentagonal bipyramids, edges with two equivalent SmS6 octahedra, edges with three BaS7 pentagonal bipyramids, and edges with four CdS4 trigonal pyramids. There are a spread of Sm–S bond distances ranging from 2.80–2.88 Å. In the second Sm3+ site, Sm3+ is bonded to six S2- atoms to form SmS6 octahedra that share corners with two equivalent BaS7 pentagonal bipyramids, corners with three equivalent CdS4 tetrahedra, edges with two equivalent SmS6 octahedra, and edges with three BaS7 pentagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.81–2.85 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with three equivalent SmS6 octahedra, corners with two equivalent BaS7 pentagonal bipyramids, corners with two equivalent CdS4 tetrahedra, a cornercorner with one CdS4 trigonal pyramid, and edges with two equivalent BaS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 5–72°. There are a spread of Cd–S bond distances ranging from 2.49–2.71 Å. In the second Cd2+ site, Cd2+ is bonded to four S2- atoms to form distorted CdS4 trigonal pyramids that share corners with two equivalent BaS7 pentagonal bipyramids, corners with two equivalent CdS4 trigonal pyramids, edges with two equivalent SmS6 octahedra, and an edgeedge with one BaS7 pentagonal bipyramid. There are a spread of Cd–S bond distances ranging from 2.46–2.74 Å. In the third Cd2+ site, Cd2+ is bonded to four S2- atoms to form distorted CdS4 trigonal pyramids that share corners with three equivalent BaS7 pentagonal bipyramids, a cornercorner with one CdS4 tetrahedra, corners with two equivalent CdS4 trigonal pyramids, edges with two equivalent SmS6 octahedra, and edges with two equivalent BaS7 pentagonal bipyramids. There are a spread of Cd–S bond distances ranging from 2.55–2.70 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ba2+ and two equivalent Sm3+ atoms to form distorted SBa3Sm2 trigonal bipyramids that share corners with six SBa4Cd square pyramids, edges with two equivalent SBa4SmCd octahedra, edges with two SBa3Sm2 square pyramids, and edges with two equivalent SBa3Sm2 trigonal bipyramids. In the second S2- site, S2- is bonded to three Ba2+ and two equivalent Sm3+ atoms to form distorted SBa3Sm2 square pyramids that share corners with four equivalent SBa4Cd2 octahedra, corners with two equivalent SBa2SmCd2 square pyramids, corners with two equivalent SBa3Sm2 trigonal bipyramids, edges with five SBa4Cd2 octahedra, edges with three SBa3Sm2 square pyramids, and an edgeedge with one SBa3Sm2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 40–51°. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Sm3+, and two equivalent Cd2+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Ba2+, one Sm3+, and two equivalent Cd2+ atoms to form distorted SBa2SmCd2 square pyramids that share corners with two equivalent SBa4Cd2 octahedra, corners with four SBa3Sm2 square pyramids, edges with three SBa4Cd2 octahedra, and edges with three SBa3Sm2 square pyramids. The corner-sharing octahedral tilt angles are 54°. In the fifth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ba2+, one Sm3+, and two equivalent Cd2+ atoms. In the sixth S2- site, S2- is bonded to four Ba2+ and one Cd2+ atom to form distorted SBa4Cd square pyramids that share corners with two equivalent SBa4SmCd octahedra, corners with two equivalent SBa2SmCd2 square pyramids, corners with four equivalent SBa3Sm2 trigonal bipyramids, an edgeedge with one SBa4SmCd octahedra, edges with two equivalent SBa4Cd square pyramids, and an edgeedge with one SBa3Sm2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 40°. In the seventh S2- site, S2- is bonded to four Ba2+ and two Cd2+ atoms to form distorted SBa4Cd2 octahedra that share corners with six SBa4SmCd octahedra, corners with six SBa3Sm2 square pyramids, edges with two equivalent SBa4Cd2 octahedra, edges with two SBa2SmCd2 square pyramids, and faces with two SBa4SmCd octahedra. The corner-sharing octahedra tilt angles range from 41–58°. In the eighth S2- site, S2- is bonded to four Ba2+, one Sm3+, and one Cd2+ atom to form SBa4SmCd octahedra that share corners with four SBa4Cd2 octahedra, corners with two equivalent SBa4Cd square pyramids, edges with three SBa4SmCd octahedra, edges with three SBa3Sm2 square pyramids, edges with two equivalent SBa3Sm2 trigonal bipyramids, and a faceface with one SBa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 21–54°. In the ninth S2- site, S2- is bonded in a 6-coordinate geometry to three Ba2+, two equivalent Sm3+, and one Cd2+ atom. In the tenth S2- site, S2- is bonded to three Ba2+, two equivalent Sm3+, and one Cd2+ atom to form SBa3Sm2Cd octahedra that share corners with six SBa4Cd2 octahedra, edges with three SBa4SmCd octahedra, edges with four SBa3Sm2 square pyramids, and a faceface with one SBa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 21–58°.

36 MATERIALS SCIENCE↗

Materials Data on Li2CdGe by Materials Project

Li2CdGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Ge atoms. All Li–Cd bond lengths are 2.79 Å. All Li–Ge bond lengths are 2.79 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗

Materials Data on CaCd by Materials Project

CdCa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗

Materials Data on EuCdAu by Materials Project

EuAuCd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Eu–Au bond distances ranging from 3.21–3.25 Å. Au is bonded in a 9-coordinate geometry to five equivalent Eu and four equivalent Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.92–3.01 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbCdAu by Materials Project

YbAuCd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Yb–Au bond distances ranging from 3.08–3.16 Å. Au is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.85–2.98 Å. Cd is bonded in a 12-coordinate geometry to four equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on EuCdPd by Materials Project

EuPdCd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 5-coordinate geometry to five equivalent Pd atoms. There are a spread of Eu–Pd bond distances ranging from 3.15–3.20 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Eu and four equivalent Cd atoms. There are three shorter (2.86 Å) and one longer (2.91 Å) Pd–Cd bond lengths. Cd is bonded in a 4-coordinate geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on CeCd by Materials Project

CeCd is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ce–Cd bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZrCdCu2 by Materials Project

ZrCu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Zr–Cu bond lengths are 2.78 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Cd atoms. All Cu–Cd bond lengths are 2.78 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Li2CdPb by Materials Project

Li2CdPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Pb atoms. All Li–Cd bond lengths are 2.98 Å. All Li–Pb bond lengths are 2.98 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgCd by Materials Project

MgCd is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to eight equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing MgCd8 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.06–3.13 Å. Cd is bonded to eight equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing CdMg8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on V3Cd by Materials Project

V3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to eight equivalent V and four equivalent Cd atoms to form VV8Cd4 cuboctahedra that share corners with twelve equivalent VV8Cd4 cuboctahedra, edges with eight equivalent CdV12 cuboctahedra, edges with sixteen equivalent VV8Cd4 cuboctahedra, faces with four equivalent CdV12 cuboctahedra, and faces with fourteen equivalent VV8Cd4 cuboctahedra. All V–V bond lengths are 2.78 Å. All V–Cd bond lengths are 2.78 Å. Cd is bonded to twelve equivalent V atoms to form CdV12 cuboctahedra that share corners with twelve equivalent CdV12 cuboctahedra, edges with twenty-four equivalent VV8Cd4 cuboctahedra, faces with six equivalent CdV12 cuboctahedra, and faces with twelve equivalent VV8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on ScCd by Materials Project

ScCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Sc–Cd bond lengths are 3.07 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗