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At least 1,153 records · Page 64
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DOE OSTI2020

Materials Data on ScCdNi4 by Materials Project

ScNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Sc–Ni bond lengths are 2.87 Å. All Sc–Cd bond lengths are 2.99 Å. Ni is bonded to three equivalent Sc, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiSc3Cd3Ni6 cuboctahedra. There are three shorter (2.43 Å) and three longer (2.46 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.86 Å. Cd is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMg30CdO32 by Materials Project

Mg30HfCdO32 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 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 1.94–2.25 Å. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent HfO6 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 2.11–2.20 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 four shorter (2.12 Å) and two longer (2.21 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 two shorter (2.15 Å) and four longer (2.16 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 HfO6 octahedra, an edgeedge with one CdO6 octahedra, and edges with ten MgO6 octahedra. The corner-sharing octahedra tilt angles range from 4–13°. There are a spread of Mg–O bond distances ranging from 2.10–2.25 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 1–4°. There are a spread of Mg–O bond distances ranging from 2.15–2.19 Å. 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 CdO6 octahedra, and edges with eleven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Mg–O bond distances ranging from 2.14–2.20 Å. 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 HfO6 octahedra, and edges with eleven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Mg–O bond distances ranging from 2.10–2.22 Å. Hf is bonded to six O atoms to form HfO6 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 are two shorter (2.00 Å) and four longer (2.12 Å) Hf–O bond lengths. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with two equivalent HfO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.36 Å) and four longer (2.38 Å) Cd–O bond lengths. There are eleven inequivalent O sites. In the first O site, O is bonded to five Mg and one Cd atom to form OMg5Cd octahedra that share corners with six OHfMg5 octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O site, O is bonded to five Mg and one Hf atom to form OHfMg5 octahedra that share corners with six OMg5Cd octahedra and edges with twelve OHfMg5 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 a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. 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°. Both O–Mg bond lengths are 2.19 Å. In the fifth O site, O is bonded to five Mg and one Cd atom to form a mixture of edge and corner-sharing OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of O–Mg bond distances ranging from 1.94–2.19 Å. In the sixth 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°. There are two shorter (2.10 Å) and two longer (2.19 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 OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 1–6°. In the eighth O site, O is bonded to four equivalent Mg, one Hf, and one Cd atom to form OHfMg4Cd octahedra that share corners with six OHfMg4Cd octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the ninth O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OHfMg4Cd octahedra and edges with twelve OMg5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the tenth 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°. 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 0–4°. The O–Mg bond length is 2.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr6CdFe13 by Materials Project

Pr6Fe13Cd crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two equivalent Cd atoms. There are a spread of Pr–Fe bond distances ranging from 2.99–3.36 Å. Both Pr–Cd bond lengths are 3.41 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to twelve Fe and one Cd atom. There are a spread of Pr–Fe bond distances ranging from 3.06–3.28 Å. The Pr–Cd bond length is 3.43 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form a mixture of corner and face-sharing FePr2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.65 Å. In the second Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted corner and face-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.53–2.60 Å. In the third Fe site, Fe is bonded to twelve Fe atoms to form a mixture of corner and face-sharing FeFe12 cuboctahedra. All Fe–Fe bond lengths are 2.47 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. The Fe–Fe bond length is 2.75 Å. Cd is bonded in a distorted q6 geometry to ten Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCd2Ni by Materials Project

LiNiCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiNiCd2 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 2.77 Å. Ni is bonded in a linear geometry to two equivalent Cd atoms. Both Ni–Cd bond lengths are 2.61 Å. Cd is bonded in a linear geometry to one Li and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac3Cd by Materials Project

Ac3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Cd atoms to form distorted AcAc8Cd4 cuboctahedra that share corners with twelve equivalent AcAc8Cd4 cuboctahedra, edges with eight equivalent AcAc8Cd4 cuboctahedra, edges with eight equivalent CdAc12 cuboctahedra, faces with four equivalent CdAc12 cuboctahedra, and faces with ten equivalent AcAc8Cd4 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.85 Å) Ac–Ac bond lengths. All Ac–Cd bond lengths are 3.85 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Cd atoms. All Ac–Cd bond lengths are 3.71 Å. Cd is bonded to twelve Ac atoms to form CdAc12 cuboctahedra that share corners with four equivalent CdAc12 cuboctahedra, edges with eight equivalent CdAc12 cuboctahedra, edges with sixteen equivalent AcAc8Cd4 cuboctahedra, faces with four equivalent CdAc12 cuboctahedra, and faces with eight equivalent AcAc8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2CdNi2 by Materials Project

Sm2Ni2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are four shorter (2.88 Å) and two longer (3.01 Å) Sm–Ni bond lengths. All Sm–Cd bond lengths are 3.36 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Sm, two equivalent Ni, and one Cd atom. Both Ni–Ni bond lengths are 2.41 Å. The Ni–Cd bond length is 2.90 Å. Cd is bonded in a distorted q6 geometry to eight equivalent Sm and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlCd2Bi by Materials Project

Cd2TlBi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Cd2TlBi ribbons oriented in the (1, 0, 0) direction. Cd is bonded in a linear geometry to one Tl and one Bi atom. The Cd–Tl bond length is 3.08 Å. The Cd–Bi bond length is 2.86 Å. Tl is bonded in a linear geometry to two equivalent Cd atoms. Bi is bonded in a linear geometry to two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmCdCu2 by Materials Project

PmCu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent Cd atoms. All Pm–Cu bond lengths are 2.93 Å. All Pm–Cd bond lengths are 3.39 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Cd atoms. All Cu–Cd bond lengths are 2.93 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Pm and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdSnAu by Materials Project

AuCdSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Sn atoms. All Au–Cd bond lengths are 2.88 Å. All Au–Sn bond lengths are 2.88 Å. Cd is bonded to four equivalent Au and six equivalent Sn atoms to form distorted CdSn6Au4 tetrahedra that share corners with four equivalent SnCd6Au4 tetrahedra, corners with six equivalent CdSn6Au4 tetrahedra, edges with six equivalent SnCd6Au4 tetrahedra, and faces with twelve equivalent CdSn6Au4 tetrahedra. All Cd–Sn bond lengths are 3.32 Å. Sn is bonded to four equivalent Au and six equivalent Cd atoms to form distorted SnCd6Au4 tetrahedra that share corners with four equivalent CdSn6Au4 tetrahedra, corners with six equivalent SnCd6Au4 tetrahedra, edges with six equivalent CdSn6Au4 tetrahedra, and faces with twelve equivalent SnCd6Au4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbDyCd2 by Materials Project

YbDyCd2 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 3.26 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Dy–Cd bond lengths are 3.26 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4Cd(P3O10)2 by Materials Project

K4Cd(P3O10)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.84–3.27 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–3.13 Å. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.35 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one CdO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.64 Å. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one CdO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one K, one Cd, and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent K, one Cd, and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one K and two P atoms. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two P atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the tenth O site, O is bonded in a water-like geometry to one K and one Cd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2CdGe2 by Materials Project

Y2CdGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to four equivalent Cd and six equivalent Ge atoms. All Y–Cd bond lengths are 3.43 Å. There are two shorter (2.96 Å) and four longer (3.08 Å) Y–Ge bond lengths. Cd is bonded to eight equivalent Y and four equivalent Ge atoms to form a mixture of corner and face-sharing CdY8Ge4 cuboctahedra. All Cd–Ge bond lengths are 2.91 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Y, two equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPd3 by Materials Project

Pd3Cd is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with fourteen equivalent PdCd4Pd8 cuboctahedra, edges with six equivalent CdPd12 cuboctahedra, edges with twelve PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with sixteen PdCd4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.83–2.90 Å. There are two shorter (2.86 Å) and two longer (2.87 Å) Pd–Cd bond lengths. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with fourteen PdCd4Pd8 cuboctahedra, edges with six equivalent CdPd12 cuboctahedra, edges with twelve equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with sixteen PdCd4Pd8 cuboctahedra. There are two shorter (2.86 Å) and two longer (2.87 Å) Pd–Cd bond lengths. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with six equivalent CdPd12 cuboctahedra, corners with twelve PdCd4Pd8 cuboctahedra, edges with eighteen PdCd4Pd8 cuboctahedra, faces with eight equivalent CdPd12 cuboctahedra, and faces with twelve PdCd4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CdCu2 by Materials Project

Nd2Cu2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are four shorter (3.02 Å) and two longer (3.08 Å) Nd–Cu bond lengths. All Nd–Cd bond lengths are 3.42 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Nd, two equivalent Cu, and one Cd atom. Both Cu–Cu bond lengths are 2.55 Å. The Cu–Cd bond length is 2.96 Å. Cd is bonded in a distorted q6 geometry to eight equivalent Nd and two equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2RhAu by Materials Project

RhAuCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Rh–Cd bond lengths are 2.87 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Au–Cd bond lengths are 2.87 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2CdGe2 by Materials Project

Sm2CdGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to four equivalent Cd and six equivalent Ge atoms. All Sm–Cd bond lengths are 3.49 Å. There are two shorter (3.02 Å) and four longer (3.13 Å) Sm–Ge bond lengths. Cd is bonded to eight equivalent Sm and four equivalent Ge atoms to form a mixture of face and corner-sharing CdSm8Ge4 cuboctahedra. All Cd–Ge bond lengths are 2.96 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Sm, two equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaCd2Pt by Materials Project

BaPtCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to three equivalent Pt and ten equivalent Cd atoms. There are one shorter (3.20 Å) and two longer (3.35 Å) Ba–Pt bond lengths. There are a spread of Ba–Cd bond distances ranging from 3.58–3.75 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent Cd atoms. There are four shorter (2.89 Å) and two longer (2.91 Å) Pt–Cd bond lengths. Cd is bonded in a 3-coordinate geometry to five equivalent Ba and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCeCd2 by Materials Project

YbCeCd2 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 3.34 Å. 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 four equivalent Yb and four equivalent Ce atoms.

36 MATERIALS SCIENCE↗