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DOE OSTI2020

Materials Data on Er4CdPt by Materials Project

Er4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Er–Pt bond lengths are 2.84 Å. All Er–Cd bond lengths are 3.39 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Er–Pt bond lengths are 2.82 Å. Both Er–Cd bond lengths are 3.49 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Er–Pt bond lengths are 3.50 Å. Both Er–Cd bond lengths are 3.24 Å. Pt is bonded in a 6-coordinate geometry to nine Er atoms. Cd is bonded to nine Er and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdEr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4CdIr by Materials Project

Ce4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Ce–Ir bond lengths are 2.89 Å. All Ce–Cd bond lengths are 3.47 Å. In the second Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Ce–Ir bond lengths are 2.84 Å. Both Ce–Cd bond lengths are 3.49 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Ce–Ir bond lengths are 3.52 Å. Both Ce–Cd bond lengths are 3.34 Å. Ir is bonded in a 6-coordinate geometry to nine Ce atoms. Cd is bonded to nine Ce and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdCe9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.09 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4CdNi by Materials Project

Sm4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Sm–Ni bond lengths are 2.83 Å. All Sm–Cd bond lengths are 3.50 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Sm–Ni bond lengths are 2.83 Å. Both Sm–Cd bond lengths are 3.54 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Sm–Ni bond lengths are 3.53 Å. Both Sm–Cd bond lengths are 3.32 Å. Ni is bonded in a 6-coordinate geometry to nine Sm atoms. Cd is bonded to nine Sm and three equivalent Cd atoms to form a mixture of corner and face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2Sb5O2F31 by Materials Project

Cd2Sb5F31O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and one Cd2Sb5F31 sheet oriented in the (0, 0, 1) direction. In the Cd2Sb5F31 sheet, Cd is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Cd–F bond distances ranging from 2.22–2.58 Å. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.94 Å. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.97 Å. In the third Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. There are sixteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a linear geometry to two equivalent Cd atoms. In the seventh F site, F is bonded in a distorted linear geometry to one Cd and one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a distorted bent 150 degrees geometry to one Cd and one Sb atom. In the tenth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a distorted single-bond geometry to one Cd and one Sb atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixteenth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4CdIr by Materials Project

Dy4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Dy–Ir bond lengths are 2.83 Å. All Dy–Cd bond lengths are 3.44 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Dy–Ir bond lengths are 2.82 Å. Both Dy–Cd bond lengths are 3.50 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Dy–Ir bond lengths are 3.49 Å. Both Dy–Cd bond lengths are 3.27 Å. Ir is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd4CdPd by Materials Project

Nd4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Nd–Pd bond lengths are 2.95 Å. All Nd–Cd bond lengths are 3.54 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Nd–Pd bond lengths are 2.96 Å. Both Nd–Cd bond lengths are 3.61 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Nd–Pd bond lengths are 3.66 Å. Both Nd–Cd bond lengths are 3.41 Å. Pd is bonded in a 6-coordinate geometry to nine Nd atoms. Cd is bonded to nine Nd and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.22 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4CdIr by Materials Project

Y4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Y–Ir bond lengths are 2.85 Å. All Y–Cd bond lengths are 3.44 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Y–Ir bond lengths are 2.82 Å. Both Y–Cd bond lengths are 3.52 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Y–Ir bond lengths are 3.50 Å. Both Y–Cd bond lengths are 3.29 Å. Ir is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4CdNi by Materials Project

Lu4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Lu–Ni bond lengths are 2.73 Å. All Lu–Cd bond lengths are 3.34 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Lu–Ni bond lengths are 2.73 Å. Both Lu–Cd bond lengths are 3.39 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Lu–Ni bond lengths are 3.38 Å. Both Lu–Cd bond lengths are 3.15 Å. Ni is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2Ni(ClO2)6 by Materials Project

NiO6(Cd(OCl)3)2 crystallizes in the orthorhombic Fdd2 space group. The structure is one-dimensional and consists of eight NiO6 clusters and eight Cd(OCl)3 ribbons oriented in the (1, 0, 0) direction. In each NiO6 cluster, Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.82–1.84 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a single-bond geometry to one Ni atom. In each Cd(OCl)3 ribbon, Cd is bonded to one O and five Cl atoms to form distorted edge-sharing CdCl5O octahedra. The Cd–O bond length is 2.34 Å. There are a spread of Cd–Cl bond distances ranging from 2.54–2.87 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cd atom. In the second O site, O is bonded in a distorted single-bond geometry to one Cl atom. The O–Cl bond length is 2.37 Å. In the third O site, O is bonded in a 2-coordinate geometry to one Cl atom. The O–Cl bond length is 2.44 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Cd atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent Cd atoms. In the third Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Cd and two O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd4CdIr by Materials Project

Nd4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Nd–Ir bond lengths are 2.91 Å. All Nd–Cd bond lengths are 3.57 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Nd–Ir bond lengths are 2.90 Å. Both Nd–Cd bond lengths are 3.62 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Nd–Ir bond lengths are 3.59 Å. Both Nd–Cd bond lengths are 3.40 Å. Ir is bonded in a 6-coordinate geometry to nine Nd atoms. Cd is bonded to nine Nd and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.17 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4CdNi by Materials Project

Dy4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Dy–Ni bond lengths are 2.78 Å. All Dy–Cd bond lengths are 3.41 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Dy–Ni bond lengths are 2.78 Å. Both Dy–Cd bond lengths are 3.47 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Dy–Ni bond lengths are 3.46 Å. Both Dy–Cd bond lengths are 3.22 Å. Ni is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4CdRu by Materials Project

Ce4RuCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Cd atoms. Both Ce–Ru bond lengths are 3.49 Å. Both Ce–Cd bond lengths are 3.34 Å. In the second Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent Cd atoms. Both Ce–Ru bond lengths are 2.75 Å. Both Ce–Cd bond lengths are 3.53 Å. In the third Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All Ce–Ru bond lengths are 2.92 Å. All Ce–Cd bond lengths are 3.50 Å. Ru is bonded in a 6-coordinate geometry to nine Ce atoms. Cd is bonded to nine Ce and three equivalent Cd atoms to form a mixture of face and corner-sharing CdCe9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.07 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb4CdPt by Materials Project

Tb4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Tb–Pt bond lengths are 2.88 Å. All Tb–Cd bond lengths are 3.44 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Tb–Pt bond lengths are 2.86 Å. Both Tb–Cd bond lengths are 3.53 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Tb–Pt bond lengths are 3.55 Å. Both Tb–Cd bond lengths are 3.29 Å. Pt is bonded in a 6-coordinate geometry to nine Tb atoms. Cd is bonded to nine Tb and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4CdNi by Materials Project

Y4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Y–Ni bond lengths are 2.82 Å. All Y–Cd bond lengths are 3.43 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Y–Ni bond lengths are 2.82 Å. Both Y–Cd bond lengths are 3.49 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Y–Ni bond lengths are 3.48 Å. Both Y–Cd bond lengths are 3.25 Å. Ni is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdAg3 by Materials Project

Ag3Cd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Ag sites. In the first Ag site, Ag is bonded to nine Ag and three equivalent Cd atoms to form AgCd3Ag9 cuboctahedra that share corners with twelve equivalent AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with twelve AgCd3Ag9 cuboctahedra. There are three shorter (2.93 Å) and six longer (3.01 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the second Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with six equivalent CdCd6Ag6 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, and faces with eighteen AgCd3Ag9 cuboctahedra. All Ag–Ag bond lengths are 3.01 Å. In the third Ag site, Ag is bonded to nine Ag and three equivalent Cd atoms to form AgCd3Ag9 cuboctahedra that share corners with seventeen AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with sixteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with fifteen AgCd3Ag9 cuboctahedra. There are three shorter (2.93 Å) and six longer (3.01 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the fourth Ag site, Ag is bonded to sixteen Ag atoms to form AgAg16 cuboctahedra that share corners with six equivalent CdCd6Ag6 cuboctahedra, corners with sixteen AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, and faces with thirty-four AgCd3Ag9 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.93–6.02 Å. In the fifth Ag site, Ag is bonded to nine Ag and three equivalent Cd atoms to form AgCd3Ag9 cuboctahedra that share corners with seventeen AgCd3Ag9 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with sixteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with fifteen AgAg16 cuboctahedra. All Ag–Ag bond lengths are 3.01 Å. All Ag–Cd bond lengths are 2.99 Å. Cd is bonded to six equivalent Ag and six equivalent Cd atoms to form CdCd6Ag6 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with six equivalent CdCd6Ag6 cuboctahedra, edges with six equivalent CdCd6Ag6 cuboctahedra, edges with eighteen AgCd3Ag9 cuboctahedra, faces with six equivalent CdCd6Ag6 cuboctahedra, and faces with twelve equivalent AgCd3Ag9 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4CdNi by Materials Project

La4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All La–Ni bond lengths are 2.93 Å. All La–Cd bond lengths are 3.63 Å. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both La–Ni bond lengths are 2.92 Å. Both La–Cd bond lengths are 3.65 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both La–Ni bond lengths are 3.64 Å. Both La–Cd bond lengths are 3.44 Å. Ni is bonded in a 6-coordinate geometry to nine La atoms. Cd is bonded to nine La and three equivalent Cd atoms to form a mixture of face and corner-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4CdIr by Materials Project

Sm4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Sm–Ir bond lengths are 2.89 Å. All Sm–Cd bond lengths are 3.52 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Sm–Ir bond lengths are 2.86 Å. Both Sm–Cd bond lengths are 3.58 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Sm–Ir bond lengths are 3.55 Å. Both Sm–Cd bond lengths are 3.34 Å. Ir is bonded in a 6-coordinate geometry to nine Sm atoms. Cd is bonded to nine Sm and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.17 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4CdPd by Materials Project

Lu4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Lu–Pd bond lengths are 2.80 Å. All Lu–Cd bond lengths are 3.29 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 2.81 Å. Both Lu–Cd bond lengths are 3.45 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 3.46 Å. Both Lu–Cd bond lengths are 3.18 Å. Pd is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.15 Å.

36 MATERIALS SCIENCE↗