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At least 775 records · Page 43
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DOE OSTI2020

Materials Data on Ce2CdPd2 by Materials Project

Ce2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.91 Å) and four longer (3.07 Å) Ce–Pd bond lengths. All Ce–Cd bond lengths are 3.47 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.89 Å. Both Pd–Cd bond lengths are 3.07 Å. Cd is bonded to eight equivalent Ce and four equivalent Pd atoms to form a mixture of face and corner-sharing CdCe8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CdNi2 by Materials Project

Pr2Ni2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are two shorter (2.93 Å) and four longer (2.98 Å) Pr–Ni bond lengths. All Pr–Cd bond lengths are 3.39 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Cd atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Cd bond lengths are 3.03 Å. Cd is bonded to eight equivalent Pr and four equivalent Ni atoms to form a mixture of face and corner-sharing CdPr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CdNi2 by Materials Project

Nd2Ni2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are two shorter (2.91 Å) and four longer (2.96 Å) Nd–Ni bond lengths. All Nd–Cd bond lengths are 3.37 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Cd atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Cd bond lengths are 3.01 Å. Cd is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of corner and face-sharing CdNd8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCdNi4 by Materials Project

CeNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Ce–Ni bond lengths are 2.93 Å. All Ce–Cd bond lengths are 3.06 Å. Ni is bonded to three equivalent Ce, six equivalent Ni, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing NiCe3Cd3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.52 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ce and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoCdCu4 by Materials Project

HoCu4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Cd atoms. All Ho–Cu bond lengths are 2.99 Å. All Ho–Cd bond lengths are 3.12 Å. Cu is bonded to three equivalent Ho, six equivalent Cu, and three equivalent Cd atoms to form a mixture of edge, corner, and face-sharing CuHo3Cd3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.56 Å) Cu–Cu bond lengths. All Cu–Cd bond lengths are 2.98 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ho and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCdCu4 by Materials Project

ErCu4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Cd atoms. All Er–Cu bond lengths are 2.98 Å. All Er–Cd bond lengths are 3.11 Å. Cu is bonded to three equivalent Er, six equivalent Cu, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing CuEr3Cd3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.55 Å) Cu–Cu bond lengths. All Cu–Cd bond lengths are 2.98 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCdCu4 by Materials Project

YbCdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Cd atoms. All Yb–Cu bond lengths are 2.97 Å. All Yb–Cd bond lengths are 3.10 Å. Cu is bonded to three equivalent Yb, six equivalent Cu, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing CuYb3Cd3Cu6 cuboctahedra. There are three shorter (2.52 Å) and three longer (2.54 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 Yb and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCd2Pd by Materials Project

LaPdCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 3-coordinate geometry to three equivalent Pd and ten equivalent Cd atoms. There are one shorter (2.91 Å) and two longer (3.08 Å) La–Pd bond lengths. There are a spread of La–Cd bond distances ranging from 3.44–3.51 Å. Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cd atoms. There are four shorter (2.89 Å) and two longer (2.91 Å) Pd–Cd bond lengths. Cd is bonded in a 3-coordinate geometry to five equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAu3 by Materials Project

Au3Cd is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Au–Cd bond lengths are 2.98 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Au–Cd bond lengths are 2.98 Å. Cd is bonded to twelve Au atoms to form a mixture of corner and face-sharing CdAu12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(CdGa)2 by Materials Project

Sr(CdGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Cd and eight equivalent Ga atoms. All Sr–Cd bond lengths are 3.68 Å. All Sr–Ga bond lengths are 3.49 Å. Cd is bonded to four equivalent Sr and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing CdSr4Ga4 tetrahedra. All Cd–Ga bond lengths are 2.81 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Cd, and one Ga atom. The Ga–Ga bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CdPd2 by Materials Project

Pr2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.97 Å) and four longer (3.12 Å) Pr–Pd bond lengths. All Pr–Cd bond lengths are 3.52 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Cd bond lengths are 3.10 Å. Cd is bonded to eight equivalent Pr and four equivalent Pd atoms to form a mixture of face and corner-sharing CdPr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2CdPd2 by Materials Project

Sm2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.92 Å) and four longer (3.06 Å) Sm–Pd bond lengths. All Sm–Cd bond lengths are 3.47 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–Cd bond lengths are 3.06 Å. Cd is bonded to eight equivalent Sm and four equivalent Pd atoms to form a mixture of face and corner-sharing CdSm8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2CdPd2 by Materials Project

Dy2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.87 Å) and four longer (3.00 Å) Dy–Pd bond lengths. All Dy–Cd bond lengths are 3.42 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Dy, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–Cd bond lengths are 3.03 Å. Cd is bonded to eight equivalent Dy and four equivalent Pd atoms to form a mixture of face and corner-sharing CdDy8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CdRh2 by Materials Project

La2Rh2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent Cd atoms. There are two shorter (2.92 Å) and four longer (3.08 Å) La–Rh bond lengths. All La–Cd bond lengths are 3.51 Å. Rh is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Cd atoms. Both Rh–Cd bond lengths are 3.03 Å. Cd is bonded to eight equivalent La and four equivalent Rh atoms to form a mixture of distorted corner and face-sharing CdLa8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2CdPb by Materials Project

Na2CdPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Pb atoms to form distorted corner-sharing NaPb4 tetrahedra. All Na–Pb bond lengths are 3.25 Å. In the second Na site, Na is bonded to four equivalent Cd atoms to form distorted corner-sharing NaCd4 tetrahedra. All Na–Cd bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pb atoms. All Cd–Pb bond lengths are 3.25 Å. Pb is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3PCl3 by Materials Project

Cd3PCl3 is Spinel-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted rectangular see-saw-like geometry to one P3- and three equivalent Cl1- atoms. The Cd–P bond length is 2.49 Å. All Cd–Cl bond lengths are 2.65 Å. In the second Cd2+ site, Cd2+ is bonded to two equivalent P3- and four equivalent Cl1- atoms to form CdP2Cl4 octahedra that share corners with four equivalent CdCl6 octahedra and edges with four equivalent CdP2Cl4 octahedra. The corner-sharing octahedral tilt angles are 49°. Both Cd–P bond lengths are 2.48 Å. All Cd–Cl bond lengths are 3.16 Å. In the third Cd2+ site, Cd2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cd–Cl bond lengths are 2.70 Å. P3- is bonded to four Cd2+ atoms to form corner-sharing PCd4 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2CdSn by Materials Project

Na2CdSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a 11-coordinate geometry to three equivalent Cd and four equivalent Sn atoms. All Na–Cd bond lengths are 3.40 Å. There are one shorter (3.37 Å) and three longer (3.40 Å) Na–Sn bond lengths. Cd is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Sn atoms. All Cd–Sn bond lengths are 2.93 Å. Sn is bonded in a 11-coordinate geometry to eight equivalent Na and three equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2Te2O7 by Materials Project

Cd2Te2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.62 Å. In the second Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. In the third Cd2+ site, Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share an edgeedge with one CdO8 hexagonal bipyramid, an edgeedge with one CdO6 octahedra, and edges with three TeO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.37–2.63 Å. In the fourth Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with four TeO6 octahedra and edges with two equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Cd–O bond distances ranging from 2.27–2.31 Å. In the fifth Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.18–2.46 Å. There are four inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.94 Å) Te–O bond length. In the second Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share a cornercorner with one CdO6 octahedra, corners with two equivalent TeO6 octahedra, and an edgeedge with one CdO8 hexagonal bipyramid. The corner-sharing octahedra tilt angles range from 30–55°. There are a spread of Te–O bond distances ranging from 1.91–2.08 Å. In the third Te5+ site, Te5+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.64 Å. In the fourth Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share a cornercorner with one CdO6 octahedra, corners with two equivalent TeO6 octahedra, and edges with two equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 30–54°. There are a spread of Te–O bond distances ranging from 1.90–2.10 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te5+ atom. In the third O2- site, O2- is bonded to three Cd2+ and one Te5+ atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one Te5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and two Te5+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Cd2+ and two Te5+ atoms. In the ninth O2- site, O2- is bonded to three Cd2+ and one Te5+ atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cd2+ and one Te5+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Cd2+ and one Te5+ atom. In the thirteenth O2- site, O2- is bonded to three Cd2+ and one Te5+ atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te5+ atoms.

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