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DOE OSTI2020

Materials Data on PrCdPd by Materials Project

PrPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.12 Å) and one longer (3.19 Å) Pr–Pd bond lengths. There are two shorter (3.35 Å) and four longer (3.45 Å) Pr–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.97 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.82 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCdPd by Materials Project

GdPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.05 Å) and one longer (3.11 Å) Gd–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.37 Å) Gd–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.90 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Gd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCdPd by Materials Project

LaPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.15 Å) and one longer (3.20 Å) La–Pd bond lengths. There are two shorter (3.39 Å) and four longer (3.48 Å) La–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cd atoms. All Pd–Cd bond lengths are 3.00 Å. Cd is bonded in a 4-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCdPt by Materials Project

CePtCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pt and six equivalent Cd atoms. There are four shorter (3.09 Å) and one longer (3.13 Å) Ce–Pt bond lengths. There are two shorter (3.32 Å) and four longer (3.41 Å) Ce–Cd bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cd atoms. All Pt–Cd bond lengths are 2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Pt–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Ce and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CdAu3 by Materials Project

Sr2Au3Cd crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and three equivalent Cd atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.63 Å. There are one shorter (3.43 Å) and two longer (3.61 Å) Sr–Cd bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and three equivalent Cd atoms. There are a spread of Sr–Au bond distances ranging from 3.34–3.60 Å. There are two shorter (3.35 Å) and one longer (3.49 Å) Sr–Cd bond lengths. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 1-coordinate geometry to six Sr, three Au, and one Cd atom. There are two shorter (2.88 Å) and one longer (3.19 Å) Au–Au bond lengths. The Au–Cd bond length is 2.85 Å. In the second Au site, Au is bonded in a 2-coordinate geometry to six Sr, two Au, and two equivalent Cd atoms. The Au–Au bond length is 2.86 Å. Both Au–Cd bond lengths are 2.83 Å. In the third Au site, Au is bonded in a 10-coordinate geometry to six Sr, three Au, and one Cd atom. The Au–Cd bond length is 2.98 Å. Cd is bonded in a 4-coordinate geometry to six Sr and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCdPd by Materials Project

SmPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.07 Å) and one longer (3.14 Å) Sm–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.39 Å) Sm–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCdPd by Materials Project

CePdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.08 Å) and one longer (3.15 Å) Ce–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.41 Å) Ce–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.79 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Ce and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCdPd by Materials Project

NdPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.10 Å) and one longer (3.16 Å) Nd–Pd bond lengths. There are two shorter (3.33 Å) and four longer (3.42 Å) Nd–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.81 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.95 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Nd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCdGe by Materials Project

SrCdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to six equivalent Cd and five equivalent Ge atoms. There are a spread of Sr–Cd bond distances ranging from 3.41–3.67 Å. There are a spread of Sr–Ge bond distances ranging from 3.28–3.35 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Sr and four equivalent Ge atoms. There are two shorter (2.85 Å) and two longer (2.95 Å) Cd–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Sr and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd15As9Cl2O37 by Materials Project

Cd15As9O37Cl2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are five inequivalent Cd sites. In the first Cd site, Cd is bonded to six O atoms to form distorted CdO6 pentagonal pyramids that share corners with three CdClO5 pentagonal pyramids, corners with six AsO4 tetrahedra, and faces with two equivalent CdO6 pentagonal pyramids. There are a spread of Cd–O bond distances ranging from 2.33–2.42 Å. In the second Cd site, Cd is bonded to six O atoms to form distorted CdO6 pentagonal pyramids that share corners with three CdClO5 pentagonal pyramids, corners with six AsO4 tetrahedra, and faces with two equivalent CdO6 pentagonal pyramids. There are a spread of Cd–O bond distances ranging from 2.32–2.42 Å. In the third Cd site, Cd is bonded to five O and one Cl atom to form distorted CdClO5 pentagonal pyramids that share corners with eight CdO6 pentagonal pyramids, corners with three AsO4 tetrahedra, and an edgeedge with one AsO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. The Cd–Cl bond length is 2.70 Å. In the fourth Cd site, Cd is bonded to six O atoms to form distorted CdO6 pentagonal pyramids that share corners with eight CdO6 pentagonal pyramids, corners with three AsO4 tetrahedra, and an edgeedge with one AsO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.63 Å. In the fifth Cd site, Cd is bonded to five O and one Cl atom to form distorted CdClO5 pentagonal pyramids that share corners with eight CdO6 pentagonal pyramids, corners with three AsO4 tetrahedra, and an edgeedge with one AsO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. The Cd–Cl bond length is 2.70 Å. There are three inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with seven CdO6 pentagonal pyramids and an edgeedge with one CdClO5 pentagonal pyramid. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with seven CdO6 pentagonal pyramids and an edgeedge with one CdClO5 pentagonal pyramid. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the third As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with seven CdO6 pentagonal pyramids and an edgeedge with one CdO6 pentagonal pyramid. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Cd and one As atom. In the second O site, O is bonded in a 3-coordinate geometry to two Cd and one As atom. In the third O site, O is bonded in a 3-coordinate geometry to two Cd and one As atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two Cd and one As atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Cd and one As atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Cd and one As atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two Cd and one As atom. In the eighth O site, O is bonded in a 3-coordinate geometry to two Cd and one As atom. In the ninth O site, O is bonded in a 3-coordinate geometry to two equivalent Cd and one As atom. In the tenth O site, O is bonded to three Cd and one As atom to form distorted edge-sharing OCd3As tetrahedra. In the eleventh O site, O is bonded in a 4-coordinate geometry to three Cd and one As atom. In the twelfth O site, O is bonded to three Cd and one As atom to form distorted edge-sharing OCd3As tetrahedra. In the thirteenth O site, O is bonded in a trigonal planar geometry to three equivalent Cd atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a trigonal planar geometry to three equivalent Cd atoms. In the second Cl site, Cl is bonded in a trigonal planar geometry to three equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCdAu by Materials Project

CeAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.15 Å) and one longer (3.22 Å) Ce–Au bond lengths. There are two shorter (3.35 Å) and four longer (3.48 Å) Ce–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cd atoms. All Au–Cd bond lengths are 2.88 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Au–Cd bond lengths are 2.99 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Ce and four Au atoms.

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 K2CdPb by Materials Project

K2CdPb crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to two equivalent Cd and four equivalent Pb atoms. Both K–Cd bond lengths are 4.01 Å. There are a spread of K–Pb bond distances ranging from 3.79–3.91 Å. In the second K site, K is bonded in a 4-coordinate geometry to two equivalent Cd and four equivalent Pb atoms. Both K–Cd bond lengths are 4.03 Å. There are two shorter (3.78 Å) and two longer (3.94 Å) K–Pb bond lengths. Cd is bonded in a distorted linear geometry to four K and two equivalent Pb atoms. Both Cd–Pb bond lengths are 2.91 Å. Pb is bonded in a 10-coordinate geometry to eight K and two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCdAu by Materials Project

LaAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.20 Å) and one longer (3.26 Å) La–Au bond lengths. There are two shorter (3.44 Å) and four longer (3.54 Å) La–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cd atoms. All Au–Cd bond lengths are 2.90 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cd atoms. All Au–Cd bond lengths are 3.05 Å. Cd is bonded in a 4-coordinate geometry to six equivalent La and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdIrRu by Materials Project

RuIrCd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Ir and four equivalent Cd atoms. All Ru–Ir bond lengths are 2.63 Å. All Ru–Cd bond lengths are 2.63 Å. Ir is bonded in a distorted q6 geometry to four equivalent Ru and six equivalent Cd atoms. All Ir–Cd bond lengths are 3.04 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ru and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗