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At least 1,081 records · Page 60
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DOE OSTI2020

Materials Data on SmTlCd by Materials Project

SmCdTl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Cd and six equivalent Tl atoms to form a mixture of face and edge-sharing SmTl6Cd6 cuboctahedra. All Sm–Cd bond lengths are 3.43 Å. All Sm–Tl bond lengths are 3.43 Å. Cd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Tl atoms. All Cd–Tl bond lengths are 2.90 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAsPd5 by Materials Project

Pd5CdAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first 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 PdCd4Pd8 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Cd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Cd, and two equivalent As atoms. Both Pd–Cd bond lengths are 2.90 Å. Both Pd–As bond lengths are 2.51 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. As is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPd5Se by Materials Project

Pd5CdSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Cd, and two equivalent Se atoms. Both Pd–Pd bond lengths are 2.88 Å. Both Pd–Cd bond lengths are 2.88 Å. Both Pd–Se bond lengths are 2.55 Å. 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 PdCd4Pd8 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. All Pd–Cd bond lengths are 2.88 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. Se is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaEuCd2 by Materials Project

CaEuCd2 is Heusler structured and crystallizes in the cubic Fm-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 3.40 Å. Eu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Eu–Cd bond lengths are 3.40 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CdGe2 by Materials Project

Nd2CdGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to four equivalent Cd and six equivalent Ge atoms. All Nd–Cd bond lengths are 3.52 Å. There are two shorter (3.05 Å) and four longer (3.16 Å) Nd–Ge bond lengths. Cd is bonded to eight equivalent Nd and four equivalent Ge atoms to form a mixture of face and corner-sharing CdNd8Ge4 cuboctahedra. All Cd–Ge bond lengths are 2.99 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Nd, two equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrScCd2 by Materials Project

ScZrCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScZrCd2 ribbons oriented in the (0, 1, 0) direction. Sc is bonded in a linear geometry to two equivalent Cd atoms. Both Sc–Cd bond lengths are 3.08 Å. Zr is bonded in a linear geometry to two equivalent Cd atoms. Both Zr–Cd bond lengths are 3.05 Å. Cd is bonded in a linear geometry to one Sc and one Zr atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CdAu2 by Materials Project

Pr2Au2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Cd atoms. There are two shorter (3.04 Å) and four longer (3.15 Å) Pr–Au bond lengths. All Pr–Cd bond lengths are 3.62 Å. Au is bonded in a 9-coordinate geometry to six equivalent Pr and two equivalent Cd atoms. Both Au–Cd bond lengths are 3.25 Å. Cd is bonded to eight equivalent Pr and four equivalent Au atoms to form a mixture of corner and face-sharing CdPr8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyTmCd2 by Materials Project

TmDyCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Tm–Cd bond lengths are 3.23 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Dy–Cd bond lengths are 3.23 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyLuCd2 by Materials Project

LuDyCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Lu–Cd bond lengths are 3.22 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Dy–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd4AsPI3 by Materials Project

Cd4AsPI3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted rectangular see-saw-like geometry to one As3- and three equivalent I1- atoms. The Cd–As bond length is 2.61 Å. All Cd–I bond lengths are 2.95 Å. In the second Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to one As3-, one P2-, and three equivalent I1- atoms. The Cd–As bond length is 2.63 Å. The Cd–P bond length is 2.57 Å. There are a spread of Cd–I bond distances ranging from 3.08–3.62 Å. As3- is bonded to four Cd2+ atoms to form AsCd4 trigonal pyramids that share corners with three equivalent PCd3P tetrahedra. P2- is bonded to three equivalent Cd2+ and one P2- atom to form PCd3P tetrahedra that share corners with three equivalent AsCd4 trigonal pyramids. The P–P bond length is 2.20 Å. I1- is bonded in a 4-coordinate geometry to four Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2CdPd2 by Materials Project

Ca2Pd2Cd crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (3.07 Å) and four longer (3.17 Å) Ca–Pd bond lengths. There are two shorter (3.45 Å) and two longer (3.46 Å) Ca–Cd bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Ca, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.72 Å. Both Pd–Cd bond lengths are 2.77 Å. Cd is bonded to eight equivalent Ca and four equivalent Pd atoms to form a mixture of distorted edge and face-sharing CdCa8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAu3 by Materials Project

Au3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded to eight Au and four equivalent Cd atoms to form distorted AuCd4Au8 cuboctahedra that share corners with twelve equivalent AuCd4Au8 cuboctahedra, edges with eight equivalent AuCd4Au8 cuboctahedra, edges with eight equivalent CdAu12 cuboctahedra, faces with four equivalent CdAu12 cuboctahedra, and faces with ten equivalent AuCd4Au8 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.00 Å) Au–Au bond lengths. All Au–Cd bond lengths are 3.00 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to eight equivalent Au and four equivalent Cd atoms. All Au–Cd bond lengths are 2.94 Å. Cd is bonded to twelve Au atoms to form CdAu12 cuboctahedra that share corners with four equivalent CdAu12 cuboctahedra, edges with eight equivalent CdAu12 cuboctahedra, edges with sixteen equivalent AuCd4Au8 cuboctahedra, faces with four equivalent CdAu12 cuboctahedra, and faces with eight equivalent AuCd4Au8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCdNi4 by Materials Project

TbNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Tb–Ni bond lengths are 2.92 Å. All Tb–Cd bond lengths are 3.05 Å. Ni is bonded to three equivalent Tb, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiTb3Cd3Ni6 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.51 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.91 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Tb and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CdCu2 by Materials Project

Nd2Cu2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are two shorter (2.97 Å) and four longer (3.01 Å) Nd–Cu bond lengths. All Nd–Cd bond lengths are 3.44 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Nd, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.58 Å. Both Cu–Cd bond lengths are 3.09 Å. Cd is bonded to eight equivalent Nd and four equivalent Cu atoms to form a mixture of corner and face-sharing CdNd8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2TlCd by Materials Project

Li2CdTl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Tl atoms to form distorted corner-sharing LiTl4 tetrahedra. All Li–Tl bond lengths are 2.99 Å. In the second Li site, Li is bonded to four equivalent Cd atoms to form distorted corner-sharing LiCd4 tetrahedra. All Li–Cd bond lengths are 2.99 Å. Cd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Cd–Tl bond lengths are 2.99 Å. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2CuPt by Materials Project

PtCuCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtCuCd2 ribbons oriented in the (1, 0, 0) direction. Pt is bonded in a linear geometry to two equivalent Cd atoms. Both Pt–Cd bond lengths are 2.60 Å. Cu is bonded in a linear geometry to two equivalent Cd atoms. Both Cu–Cd bond lengths are 2.52 Å. Cd is bonded in a linear geometry to one Pt and one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCdNi4 by Materials Project

DyNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Dy–Ni bond lengths are 2.91 Å. All Dy–Cd bond lengths are 3.04 Å. Ni is bonded to three equivalent Dy, six equivalent Ni, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing NiDy3Cd3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.91 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Dy and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiScCd2 by Materials Project

LiScCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiScCd2 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 2.80 Å. Sc is bonded in a linear geometry to two equivalent Cd atoms. Both Sc–Cd bond lengths are 3.10 Å. Cd is bonded in a linear geometry to one Li and one Sc atom.

36 MATERIALS SCIENCE↗