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At least 1,009 records · Page 56
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DOE OSTI2020

Materials Data on YbPmCd2 by Materials Project

YbPmCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Yb–Cd bond lengths are 3.30 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Pm–Cd bond lengths are 3.30 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Cd atoms. All Mg–Mg bond lengths are 3.06 Å. All Mg–Cd bond lengths are 3.54 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Mg–Cd bond lengths are 3.06 Å. Cd is bonded in a body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCdTe by Materials Project

CdMgTe crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to two equivalent Cd and two equivalent Te atoms. There are one shorter (2.95 Å) and one longer (3.05 Å) Mg–Cd bond lengths. There are one shorter (2.82 Å) and one longer (2.84 Å) Mg–Te bond lengths. Cd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Te atoms. There are one shorter (2.93 Å) and one longer (2.96 Å) Cd–Te bond lengths. Te is bonded to two equivalent Mg and two equivalent Cd atoms to form corner-sharing TeMg2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CdNi2 by Materials Project

La2Ni2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are four shorter (2.96 Å) and two longer (3.06 Å) La–Ni bond lengths. All La–Cd bond lengths are 3.47 Å. Ni is bonded in a 9-coordinate geometry to six equivalent La, two equivalent Ni, and one Cd atom. Both Ni–Ni bond lengths are 2.47 Å. The Ni–Cd bond length is 3.01 Å. Cd is bonded in a distorted q6 geometry to eight equivalent La and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCd2In by Materials Project

YbCd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Cd and six equivalent In atoms. All Yb–Cd bond lengths are 3.16 Å. All Yb–In bond lengths are 3.65 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent In atoms. All Cd–In bond lengths are 3.16 Å. In is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCdCu4 by Materials Project

TmCu4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Cd atoms. All Tm–Cu bond lengths are 2.97 Å. All Tm–Cd bond lengths are 3.10 Å. Cu is bonded to three equivalent Tm, six equivalent Cu, and three equivalent Cd atoms to form a mixture of edge, corner, and face-sharing CuTm3Cd3Cu6 cuboctahedra. There are three shorter (2.52 Å) and three longer (2.55 Å) Cu–Cu bond lengths. All Cu–Cd bond lengths are 2.97 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Cd by Materials Project

Sm3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Cd atoms to form distorted SmSm8Cd4 cuboctahedra that share corners with twelve equivalent SmSm8Cd4 cuboctahedra, edges with eight equivalent CdSm12 cuboctahedra, edges with sixteen SmSm8Cd4 cuboctahedra, faces with four equivalent CdSm12 cuboctahedra, and faces with fourteen SmSm8Cd4 cuboctahedra. There are four shorter (3.47 Å) and four longer (3.50 Å) Sm–Sm bond lengths. All Sm–Cd bond lengths are 3.50 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Cd atoms to form distorted SmSm8Cd4 cuboctahedra that share corners with four equivalent SmSm8Cd4 cuboctahedra, corners with eight equivalent CdSm12 cuboctahedra, edges with twenty-four SmSm8Cd4 cuboctahedra, faces with six equivalent CdSm12 cuboctahedra, and faces with twelve SmSm8Cd4 cuboctahedra. All Sm–Cd bond lengths are 3.47 Å. Cd is bonded to twelve Sm atoms to form CdSm12 cuboctahedra that share corners with four equivalent CdSm12 cuboctahedra, corners with eight equivalent SmSm8Cd4 cuboctahedra, edges with eight equivalent CdSm12 cuboctahedra, edges with sixteen equivalent SmSm8Cd4 cuboctahedra, faces with four equivalent CdSm12 cuboctahedra, and faces with fourteen SmSm8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2CdGe2 by Materials Project

Yb2CdGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to four equivalent Cd and six equivalent Ge atoms. All Yb–Cd bond lengths are 3.49 Å. There are two shorter (3.04 Å) and four longer (3.11 Å) Yb–Ge bond lengths. Cd is bonded to eight equivalent Yb and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing CdYb8Ge4 cuboctahedra. All Cd–Ge bond lengths are 2.91 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb, two equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaYCd2 by Materials Project

LaYCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaYCd2 ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to two equivalent Cd atoms. Both La–Cd bond lengths are 3.18 Å. Y is bonded in a linear geometry to two equivalent Cd atoms. Both Y–Cd bond lengths are 3.16 Å. Cd is bonded in a linear geometry to one La and one Y atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZnCd2 by Materials Project

LiCd2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCd2Zn ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Cd atoms. Both Li–Cd bond lengths are 2.82 Å. Cd is bonded in a linear geometry to one Li and one Zn atom. The Cd–Zn bond length is 2.85 Å. Zn is bonded in a linear geometry to two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuMgCd2 by Materials Project

MgEuCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Mg–Cd bond lengths are 3.22 Å. Eu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Eu–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2CdPd2 by Materials Project

Tm2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.83 Å) and four longer (2.98 Å) Tm–Pd bond lengths. All Tm–Cd bond lengths are 3.38 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Tm, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–Cd bond lengths are 3.01 Å. Cd is bonded to eight equivalent Tm and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing CdTm8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaCd2In by Materials Project

CaCd2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaCd2In ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Cd atoms. Both Ca–Cd bond lengths are 3.24 Å. Cd is bonded in a linear geometry to one Ca and one In atom. The Cd–In bond length is 2.94 Å. In is bonded in a linear geometry to two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd4Te3Se by Materials Project

Cd4Te3Se is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form corner-sharing CdTe2Se2 tetrahedra. Both Cd–Te bond lengths are 2.86 Å. Both Cd–Se bond lengths are 2.74 Å. In the second Cd2+ site, Cd2+ is bonded to three Te2- and one Se2- atom to form corner-sharing CdTe3Se tetrahedra. There are two shorter (2.85 Å) and one longer (2.88 Å) Cd–Te bond lengths. The Cd–Se bond length is 2.71 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form corner-sharing CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.86 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with four equivalent SeCd4 tetrahedra and corners with eight TeCd4 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form TeCd4 tetrahedra that share corners with two equivalent SeCd4 tetrahedra and corners with ten TeCd4 tetrahedra. Se2- is bonded to four Cd2+ atoms to form SeCd4 tetrahedra that share corners with two equivalent SeCd4 tetrahedra and corners with ten TeCd4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCdB by Materials Project

YCdB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded to six equivalent Cd and four equivalent B atoms to form a mixture of distorted face and corner-sharing YCd6B4 tetrahedra. All Y–Cd bond lengths are 3.07 Å. All Y–B bond lengths are 2.66 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Y and four equivalent B atoms. All Cd–B bond lengths are 2.66 Å. B is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg30AlCdO32 by Materials Project

Mg30CdAlO32 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with four MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 2.10–2.23 Å. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent CdO6 octahedra, corners with four MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 1.99–2.19 Å. In the third Mg site, Mg is bonded to six O atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.13 Å) and four longer (2.16 Å) Mg–O bond lengths. In the fourth Mg site, Mg is bonded to six O atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.12 Å) and two longer (2.15 Å) Mg–O bond lengths. In the fifth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one CdO6 octahedra, an edgeedge with one AlO6 octahedra, and edges with ten MgO6 octahedra. The corner-sharing octahedra tilt angles range from 1–15°. There are a spread of Mg–O bond distances ranging from 2.12–2.19 Å. In the sixth Mg site, Mg is bonded to six O atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are two shorter (2.14 Å) and four longer (2.15 Å) Mg–O bond lengths. In the seventh Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one AlO6 octahedra, and edges with eleven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are four shorter (2.14 Å) and two longer (2.15 Å) Mg–O bond lengths. In the eighth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one CdO6 octahedra, and edges with eleven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Mg–O bond distances ranging from 2.13–2.17 Å. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.30 Å) and two longer (2.43 Å) Cd–O bond lengths. Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent CdO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.86 Å) and four longer (2.06 Å) Al–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded to five Mg and one Al atom to form OMg5Al octahedra that share corners with six OMg5Al octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (2.14 Å) and one longer (2.23 Å) O–Mg bond lengths. In the second O site, O is bonded to five Mg and one Cd atom to form OMg5Cd octahedra that share corners with six OMg5Al octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the third O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OMg5Al octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. Both O–Mg bond lengths are 2.15 Å. In the fourth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the fifth O site, O is bonded to five Mg and one Cd atom to form OMg5Cd octahedra that share corners with six OMg5Al octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are two shorter (2.15 Å) and two longer (2.17 Å) O–Mg bond lengths. In the sixth O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OMg5Al octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (2.14 Å) and two longer (2.15 Å) O–Mg bond lengths. In the seventh O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OMg5Al octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the eighth O site, O is bonded to four equivalent Mg, one Cd, and one Al atom to form distorted OMg4AlCd octahedra that share corners with six OMg4AlCd octahedra and edges with twelve OMg5Al octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the ninth O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OMg4AlCd octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the tenth O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OMg4AlCd octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.12 Å) and two longer (2.15 Å) O–Mg bond lengths. In the eleventh O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the twelfth O site, O is bonded to five Mg and one Al atom to form a mixture of edge and corner-sharing OMg5Al octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the thirteenth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The O–Mg bond length is 2.13 Å. In the fourteenth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of O–Mg bond distances ranging from 2.13–2.15 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3Cd by Materials Project

Th3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to eight Th and four equivalent Cd atoms to form ThTh8Cd4 cuboctahedra that share corners with twelve equivalent ThTh8Cd4 cuboctahedra, edges with eight equivalent CdTh12 cuboctahedra, edges with sixteen ThTh8Cd4 cuboctahedra, faces with four equivalent CdTh12 cuboctahedra, and faces with fourteen ThTh8Cd4 cuboctahedra. There are four shorter (3.46 Å) and four longer (3.52 Å) Th–Th bond lengths. All Th–Cd bond lengths are 3.52 Å. In the second Th site, Th is bonded to eight equivalent Th and four equivalent Cd atoms to form distorted ThTh8Cd4 cuboctahedra that share corners with four equivalent ThTh8Cd4 cuboctahedra, corners with eight equivalent CdTh12 cuboctahedra, edges with twenty-four ThTh8Cd4 cuboctahedra, faces with six equivalent CdTh12 cuboctahedra, and faces with twelve ThTh8Cd4 cuboctahedra. All Th–Cd bond lengths are 3.46 Å. Cd is bonded to twelve Th atoms to form CdTh12 cuboctahedra that share corners with four equivalent CdTh12 cuboctahedra, corners with eight equivalent ThTh8Cd4 cuboctahedra, edges with eight equivalent CdTh12 cuboctahedra, edges with sixteen equivalent ThTh8Cd4 cuboctahedra, faces with four equivalent CdTh12 cuboctahedra, and faces with fourteen ThTh8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCdCl4 by Materials Project

CdAlCl4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two CdAlCl4 sheets oriented in the (0, 0, 1) direction. Cd is bonded in a distorted rectangular see-saw-like geometry to three Cl atoms. There are two shorter (2.76 Å) and one longer (2.79 Å) Cd–Cl bond lengths. Al is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.11 Å) and three longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Cd and one Al atom. In the second Cl site, Cl is bonded in a water-like geometry to one Cd and one Al atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fourth Cl site, Cl is bonded in a water-like geometry to one Cd and one Al atom.

36 MATERIALS SCIENCE↗