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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce(CuGe)2 by Materials Project

CeCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Ce–Cu bond lengths are 3.29 Å. All Ce–Ge bond lengths are 3.19 Å. Cu is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCuGe by Materials Project

CeCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing CeCu6Ge6 cuboctahedra. All Ce–Cu bond lengths are 3.15 Å. All Ce–Ge bond lengths are 3.15 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(CuGe)4 by Materials Project

Ce3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six Ge atoms to form distorted edge-sharing CeGe6 octahedra. There are four shorter (3.00 Å) and two longer (3.06 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.05 Å) and two longer (3.11 Å) Ce–Cu bond lengths. There are two shorter (3.06 Å) and four longer (3.14 Å) Ce–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Ce, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2CuGe6 by Materials Project

Ce2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Ce–Cu bond lengths are 3.17 Å. There are a spread of Ce–Ge bond distances ranging from 3.15–3.40 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.04–3.21 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ce and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.36–2.44 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.93 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Cu, and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to six Ce and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Cu, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2(CuGe)3 by Materials Project

Ce2(CuGe)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to eight Cu and six Ge atoms. There are a spread of Ce–Cu bond distances ranging from 3.12–3.29 Å. There are four shorter (3.19 Å) and two longer (3.22 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Cu and eight Ge atoms. There are two shorter (3.18 Å) and four longer (3.26 Å) Ce–Cu bond lengths. There are four shorter (3.13 Å) and four longer (3.25 Å) Ce–Ge bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 3-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.33 Å) and two longer (2.36 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four Ce, two equivalent Cu, and six Ge atoms. Both Cu–Cu bond lengths are 2.50 Å. There are two shorter (2.50 Å) and four longer (2.97 Å) Cu–Ge bond lengths. In the third Cu site, Cu is bonded in a 3-coordinate geometry to four equivalent Ce, two equivalent Cu, and three Ge atoms. There are one shorter (2.39 Å) and two longer (2.40 Å) Cu–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce, three Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four Ce, six Cu, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 3-coordinate geometry to six Ce and three Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCuGe by Materials Project

CeCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing CeCu6Ge6 cuboctahedra. All Ce–Cu bond lengths are 3.16 Å. All Ce–Ge bond lengths are 3.16 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2CuGe3 by Materials Project

Ce2CuGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Cu and nine Ge atoms to form a mixture of edge and face-sharing CeCu3Ge9 cuboctahedra. All Ce–Cu bond lengths are 3.16 Å. There are three shorter (3.16 Å) and six longer (3.18 Å) Ce–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.47 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.

36 MATERIALS SCIENCE↗