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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeGePd by Materials Project

CePdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Ce–Ge bond distances ranging from 3.18–3.26 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.20–3.26 Å. There are a spread of Ce–Ge bond distances ranging from 3.07–3.17 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.03–3.23 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.28 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.62–3.03 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Ce, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.17 Å. All Pd–Ge bond lengths are 2.59 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Ce, one Pd, and three equivalent Ge atoms. There are two shorter (2.60 Å) and one longer (2.62 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three Pd, and one Ge atom. The Ge–Ge bond length is 2.85 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ce and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGe3Pd5 by Materials Project

CePd5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eleven Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.23–3.57 Å. There are a spread of Ce–Ge bond distances ranging from 3.16–3.20 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Ce, five Pd, and four Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–2.85 Å. There are a spread of Pd–Ge bond distances ranging from 2.50–2.58 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.66 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to one Ce, one Pd, and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.79 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Ce, two equivalent Pd, and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.49–2.66 Å. In the fifth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.45–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(Ge3Pd10)2 by Materials Project

Ce3Pd20Ge6 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 to twelve equivalent Pd atoms to form distorted CePd12 cuboctahedra that share edges with twenty-four PdCeGe3Pd6 tetrahedra and faces with eight CePd16 tetrahedra. All Ce–Pd bond lengths are 3.09 Å. In the second Ce site, Ce is bonded to sixteen Pd atoms to form distorted CePd16 tetrahedra that share edges with six equivalent CePd16 tetrahedra, edges with twelve equivalent PdCeGe3Pd6 tetrahedra, faces with four equivalent CePd12 cuboctahedra, and faces with four equivalent PdCeGe3Pd6 tetrahedra. There are four shorter (2.87 Å) and twelve longer (3.41 Å) Ce–Pd bond lengths. In the third Ce site, Ce is bonded to sixteen Pd atoms to form distorted CePd16 tetrahedra that share edges with six equivalent CePd16 tetrahedra, edges with twelve equivalent PdCeGe3Pd6 tetrahedra, faces with four equivalent CePd12 cuboctahedra, and faces with four equivalent PdCeGe3Pd6 tetrahedra. There are four shorter (2.88 Å) and twelve longer (3.42 Å) Ce–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce, six equivalent Pd, and three equivalent Ge atoms to form PdCeGe3Pd6 tetrahedra that share corners with three equivalent PdCeGe3Pd6 tetrahedra, edges with three equivalent CePd12 cuboctahedra, edges with three equivalent CePd16 tetrahedra, edges with three equivalent PdCeGe3Pd6 tetrahedra, a faceface with one CePd16 tetrahedra, and faces with six PdCeGe3Pd6 tetrahedra. All Pd–Pd bond lengths are 3.08 Å. All Pd–Ge bond lengths are 2.54 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to three Ce, nine Pd, and two equivalent Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.69–3.10 Å. Both Pd–Ge bond lengths are 2.49 Å. In the third Pd site, Pd is bonded to one Ce, six equivalent Pd, and three equivalent Ge atoms to form PdCeGe3Pd6 tetrahedra that share corners with three equivalent PdCeGe3Pd6 tetrahedra, edges with three equivalent CePd12 cuboctahedra, edges with three equivalent CePd16 tetrahedra, edges with three equivalent PdCeGe3Pd6 tetrahedra, a faceface with one CePd16 tetrahedra, and faces with six PdCeGe3Pd6 tetrahedra. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce7(GePd2)2 by Materials Project

Ce7Pd4Ge2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 2.86 Å. There are a spread of Ce–Pd bond distances ranging from 2.80–3.25 Å. The Ce–Ge bond length is 3.45 Å. In the second Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. The Ce–Ce bond length is 2.77 Å. There are a spread of Ce–Pd bond distances ranging from 2.87–3.78 Å. There are one shorter (3.17 Å) and one longer (3.29 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.75–3.14 Å. There are one shorter (2.94 Å) and one longer (2.96 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. The Ce–Ce bond length is 3.03 Å. There are a spread of Ce–Pd bond distances ranging from 2.83–3.44 Å. The Ce–Ge bond length is 3.12 Å. In the fifth Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.89 Å. There are a spread of Ce–Ge bond distances ranging from 3.09–3.19 Å. In the sixth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 2.85 Å. There are a spread of Ce–Pd bond distances ranging from 2.80–3.26 Å. The Ce–Ge bond length is 3.43 Å. In the seventh Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.90 Å. There are a spread of Ce–Ge bond distances ranging from 3.08–3.18 Å. In the eighth Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.76–3.13 Å. There are one shorter (2.93 Å) and one longer (2.96 Å) Ce–Ge bond lengths. In the ninth Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.65 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the tenth Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.65 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the eleventh Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 2.89 Å. There are a spread of Ce–Pd bond distances ranging from 2.81–3.25 Å. The Ce–Ge bond length is 3.44 Å. In the twelfth Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. There are one shorter (2.77 Å) and one longer (2.86 Å) Ce–Ce bond lengths. There are a spread of Ce–Pd bond distances ranging from 3.11–3.40 Å. The Ce–Ge bond length is 3.01 Å. In the thirteenth Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.88–3.78 Å. There are one shorter (3.18 Å) and one longer (3.30 Å) Ce–Ge bond lengths. In the fourteenth Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.81–3.26 Å. The Ce–Ge bond length is 3.44 Å. In the fifteenth Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.76–3.13 Å. There are one shorter (2.94 Å) and one longer (2.95 Å) Ce–Ge bond lengths. In the sixteenth Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.90 Å. There are a spread of Ce–Ge bond distances ranging from 3.08–3.18 Å. In the seventeenth Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. There are one shorter (2.77 Å) and one longer (3.05 Å) Ce–Ce bond lengths. There are a spread of Ce–Pd bond distances ranging from 3.10–3.40 Å. The Ce–Ge bond length is 3.02 Å. In the eighteenth Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 3.03 Å. There are a spread of Ce–Pd bond distances ranging from 3.11–3.39 Å. The Ce–Ge bond length is 3.02 Å. In the nineteenth Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.64 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the twentieth Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.89 Å. There are a spread of Ce–Ge bond distances ranging from 3.08–3.19 Å. In the twenty-first Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. There are one shorter (2.77 Å) and one longer (3.04 Å) Ce–Ce bond lengths. There are a spread of Ce–Pd bond distances ranging from 3.10–3.40 Å. The Ce–Ge bond length is 3.02 Å. In the twenty-second Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.64 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.20 Å. In the twenty-third Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.86–3.79 Å. There are one shorter (3.16 Å) and one longer (3.30 Å) Ce–Ge bond lengths. In the twenty-fourth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.82–3.43 Å. The Ce–Ge bond length is 3.12 Å. In the twenty-fifth Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.87–3.78 Å. There are one shorter (3.17 Å) and one longer (3.30 Å) Ce–Ge bond lengths. In the twenty-sixth Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.75–3.13 Å. Both Ce–Ge bond lengths are 2.95 Å. In the twenty-seventh Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.82–3.44 Å. The Ce–Ge bond length is 3.13 Å. In the twenty-eighth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.82–3.42 Å. The Ce–Ge bond length is 3.12 Å. There are sixteen inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.88 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. The Pd–Pd bond length is 2.94 Å. There are one shorter (2.61 Å) and one longer (3.12 Å) Pd–Ge bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.88 Å) Pd–Ge bond lengths. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and two Pd atoms. The Pd–Pd bond length is 2.92 Å. In the fifth Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.88 Å) Pd–Ge bond lengths. In the sixth Pd site, Pd is bonded in a 4-coordinate geometry to nine Ce and one Pd atom. The Pd–Pd bond length is 2.92 Å. In the seventh Pd site, Pd is bonded in a 4-coordinate geometry to nine Ce and one Pd atom. The Pd–Pd bond length is 2.92 Å. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to nine Ce and one Pd atom. In the ninth Pd site, Pd is bonded in a 4-coordinate geometry to nine Ce and one Pd atom. The Pd–Pd bond length is 2.92 Å. In the tenth Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.87 Å) Pd–Ge bond lengths. In the eleventh Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Pd atoms. There are one shorter (2.94 Å) and one longer (2.97 Å) Pd–Pd bond lengths. In the twelfth Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. There are one shorter (2.61 Å) and one longer (3.11 Å) Pd–Ge bond lengths. In the thirteenth Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Pd atoms. The Pd–Pd bond length is 2.94 Å. In the fourteenth Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and two Pd atoms. The Pd–Pd bond length is 2.94 Å. In the fifteenth Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. There are one shorter (2.62 Å) and one longer (3.12 Å) Pd–Ge bond lengths. In the sixteenth Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. There are one shorter (2.61 Å) and one longer (3.12 Å) Pd–Ge bond lengths. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the seventh Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGePd2 by Materials Project

CePd2Ge crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.04–3.46 Å. There are a spread of Ce–Ge bond distances ranging from 3.07–3.22 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Ce and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.74 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce8GePd24 by Materials Project

(CePd3)8Ge crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one GePd6 octahedra. There are nine shorter (2.99 Å) and three longer (3.01 Å) Ce–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce atoms. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Ge atom. The Pd–Ge bond length is 2.52 Å. Ge is bonded to six equivalent Pd atoms to form GePd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.

36 MATERIALS SCIENCE↗