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At least 865 records · Page 48
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DOE OSTI2020

Materials Data on HoCd2 by Materials Project

HoCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to two equivalent Ho and twelve equivalent Cd atoms to form a mixture of distorted edge, corner, and face-sharing HoHo2Cd12 cuboctahedra. Both Ho–Ho bond lengths are 3.44 Å. All Ho–Cd bond lengths are 3.34 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Ho and five equivalent Cd atoms. There are three shorter (2.87 Å) and two longer (3.44 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbCd3 by Materials Project

NbCd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Cd atoms to form NbCd12 cuboctahedra that share corners with twelve equivalent NbCd12 cuboctahedra, edges with twenty-four equivalent CdNb4Cd8 cuboctahedra, faces with six equivalent NbCd12 cuboctahedra, and faces with twelve equivalent CdNb4Cd8 cuboctahedra. All Nb–Cd bond lengths are 3.05 Å. Cd is bonded to four equivalent Nb and eight equivalent Cd atoms to form CdNb4Cd8 cuboctahedra that share corners with twelve equivalent CdNb4Cd8 cuboctahedra, edges with eight equivalent NbCd12 cuboctahedra, edges with sixteen equivalent CdNb4Cd8 cuboctahedra, faces with four equivalent NbCd12 cuboctahedra, and faces with fourteen equivalent CdNb4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å.

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DOE OSTI2020

Materials Data on TmCd2 by Materials Project

TmCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to two equivalent Tm and twelve equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing TmTm2Cd12 cuboctahedra. Both Tm–Tm bond lengths are 3.41 Å. All Tm–Cd bond lengths are 3.33 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Tm and five equivalent Cd atoms. There are three shorter (2.86 Å) and two longer (3.41 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrCd3 by Materials Project

Cd3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cd atoms to form ZrCd12 cuboctahedra that share corners with twelve equivalent ZrCd12 cuboctahedra, edges with twenty-four equivalent CdZr4Cd8 cuboctahedra, faces with six equivalent ZrCd12 cuboctahedra, and faces with twelve equivalent CdZr4Cd8 cuboctahedra. All Zr–Cd bond lengths are 3.13 Å. Cd is bonded to four equivalent Zr and eight equivalent Cd atoms to form CdZr4Cd8 cuboctahedra that share corners with twelve equivalent CdZr4Cd8 cuboctahedra, edges with eight equivalent ZrCd12 cuboctahedra, edges with sixteen equivalent CdZr4Cd8 cuboctahedra, faces with four equivalent ZrCd12 cuboctahedra, and faces with fourteen equivalent CdZr4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCd2 by Materials Project

LaCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded to twelve equivalent Cd atoms to form a mixture of distorted edge and face-sharing LaCd12 cuboctahedra. All La–Cd bond lengths are 3.47 Å. Cd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cd atoms. All Cd–Cd bond lengths are 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCd2 by Materials Project

ThCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to two equivalent Th and twelve equivalent Cd atoms. Both Th–Th bond lengths are 3.38 Å. All Th–Cd bond lengths are 3.42 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Th and five equivalent Cd atoms. There are three shorter (2.97 Å) and two longer (3.38 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCd2 by Materials Project

YCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to twelve equivalent Cd atoms to form a mixture of distorted face and edge-sharing YCd12 cuboctahedra. All Y–Cd bond lengths are 3.36 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Y and five equivalent Cd atoms. There are three shorter (2.87 Å) and two longer (3.49 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaCd2 by Materials Project

CaCd2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Cd atoms. There are a spread of Ca–Cd bond distances ranging from 3.38–3.52 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.91–3.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCd2 by Materials Project

Cd2Pr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded to two equivalent Pr and twelve equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing PrPr2Cd12 cuboctahedra. Both Pr–Pr bond lengths are 3.50 Å. All Pr–Cd bond lengths are 3.44 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Pr and five equivalent Cd atoms. There are three shorter (2.96 Å) and two longer (3.50 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3AsCl3 by Materials Project

Cd3AsCl3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one As3- and five Cl1- atoms to form distorted CdAsCl5 octahedra that share corners with eight CdAsCl5 octahedra and edges with two equivalent CdAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. The Cd–As bond length is 2.59 Å. There are a spread of Cd–Cl bond distances ranging from 2.54–3.20 Å. In the second Cd2+ site, Cd2+ is bonded to two equivalent As3- and four Cl1- atoms to form a mixture of corner and edge-sharing CdAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 48–57°. Both Cd–As bond lengths are 2.57 Å. There are two shorter (3.16 Å) and two longer (3.24 Å) Cd–Cl bond lengths. In the third Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one As3- and three Cl1- atoms. The Cd–As bond length is 2.57 Å. There are two shorter (2.59 Å) and one longer (2.68 Å) Cd–Cl bond lengths. As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four Cd2+ atoms.

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DOE OSTI2020

Materials Data on BaCdBi2 by Materials Project

BaCdBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.64 Å) and four longer (3.71 Å) Ba–Bi bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.64 Å) and four longer (3.71 Å) Ba–Bi bond lengths. In the third Ba site, Ba is bonded in a 12-coordinate geometry to eight Bi atoms. There are four shorter (3.64 Å) and four longer (3.71 Å) Ba–Bi bond lengths. Cd is bonded to four Bi atoms to form a mixture of distorted corner and edge-sharing CdBi4 tetrahedra. All Cd–Bi bond lengths are 3.08 Å. There are seven inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.37 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Cd atoms. In the third Bi site, Bi is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Bi atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Cd atoms. In the fifth Bi site, Bi is bonded in a distorted body-centered cubic geometry to four Ba and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.37 Å. In the sixth Bi site, Bi is bonded in a distorted body-centered cubic geometry to four Ba and four equivalent Bi atoms. In the seventh Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Cd atoms. All Bi–Cd bond lengths are 3.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuCd2 by Materials Project

EuCd2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twelve equivalent Cd atoms. There are a spread of Eu–Cd bond distances ranging from 3.42–3.65 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Cd atoms. There are three shorter (2.93 Å) and one longer (3.07 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd3 by Materials Project

MgCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Cd atoms to form MgCd12 cuboctahedra that share corners with six equivalent MgCd12 cuboctahedra, corners with twelve equivalent CdMg4Cd8 cuboctahedra, edges with eighteen equivalent CdMg4Cd8 cuboctahedra, faces with eight equivalent MgCd12 cuboctahedra, and faces with twelve equivalent CdMg4Cd8 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.18 Å) Mg–Cd bond lengths. Cd is bonded to four equivalent Mg and eight equivalent Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with four equivalent MgCd12 cuboctahedra, corners with fourteen equivalent CdMg4Cd8 cuboctahedra, edges with six equivalent MgCd12 cuboctahedra, edges with twelve equivalent CdMg4Cd8 cuboctahedra, faces with four equivalent MgCd12 cuboctahedra, and faces with sixteen equivalent CdMg4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.12–3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCd3 by Materials Project

ScCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Cd atoms to form ScCd12 cuboctahedra that share corners with six equivalent ScCd12 cuboctahedra, corners with twelve equivalent CdSc4Cd8 cuboctahedra, edges with eighteen equivalent CdSc4Cd8 cuboctahedra, faces with eight equivalent ScCd12 cuboctahedra, and faces with twelve equivalent CdSc4Cd8 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.20 Å) Sc–Cd bond lengths. Cd is bonded to four equivalent Sc and eight equivalent Cd atoms to form distorted CdSc4Cd8 cuboctahedra that share corners with four equivalent ScCd12 cuboctahedra, corners with fourteen equivalent CdSc4Cd8 cuboctahedra, edges with six equivalent ScCd12 cuboctahedra, edges with twelve equivalent CdSc4Cd8 cuboctahedra, faces with four equivalent ScCd12 cuboctahedra, and faces with sixteen equivalent CdSc4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.07–3.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCd2 by Materials Project

SmCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to two equivalent Sm and twelve equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing SmSm2Cd12 cuboctahedra. Both Sm–Sm bond lengths are 3.48 Å. All Sm–Cd bond lengths are 3.39 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Sm and five equivalent Cd atoms. There are three shorter (2.92 Å) and two longer (3.48 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCd2 by Materials Project

TbCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Cd atoms to form a mixture of distorted edge and face-sharing TbCd12 cuboctahedra. All Tb–Cd bond lengths are 3.36 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Tb and five equivalent Cd atoms. There are three shorter (2.88 Å) and two longer (3.46 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCd by Materials Project

TiCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent TiTi8Cd4 cuboctahedra, corners with eight equivalent CdTi4Cd8 cuboctahedra, edges with eight equivalent TiTi8Cd4 cuboctahedra, edges with sixteen equivalent CdTi4Cd8 cuboctahedra, faces with six equivalent CdTi4Cd8 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.12 Å. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form CdTi4Cd8 cuboctahedra that share corners with four equivalent CdTi4Cd8 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi4Cd8 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent TiTi8Cd4 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2Cd by Materials Project

Ti2Cd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent CdTi8Cd4 cuboctahedra, faces with five equivalent CdTi8Cd4 cuboctahedra, and faces with thirteen equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.81 Å) and four longer (2.86 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.15 Å. Cd is bonded to eight equivalent Ti and four equivalent Cd atoms to form CdTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twenty-four equivalent TiTi8Cd4 cuboctahedra, faces with eight equivalent CdTi8Cd4 cuboctahedra, and faces with ten equivalent TiTi8Cd4 cuboctahedra. All Cd–Cd bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗