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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er(CuGe)2 by Materials Project

ErCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Er–Cu bond lengths are 3.28 Å. All Er–Ge bond lengths are 3.10 Å. Cu is bonded to four equivalent Er and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CuEr4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(CuGe)4 by Materials Project

Er3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.98 Å) and two longer (3.04 Å) Er–Cu bond lengths. There are two shorter (2.99 Å) and four longer (3.03 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to six Ge atoms to form distorted edge-sharing ErGe6 octahedra. There are four shorter (2.92 Å) and two longer (2.99 Å) Er–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Er, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.55 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCuGe by Materials Project

ErCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.88 Å) and three longer (3.19 Å) Er–Cu bond lengths. There are three shorter (2.92 Å) and three longer (3.15 Å) Er–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ge atoms. There are three shorter (2.50 Å) and one longer (3.09 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2CuGe6 by Materials Project

Er2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (2.98 Å) and two longer (3.11 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Er–Cu bond lengths are 3.11 Å. There are a spread of Er–Ge bond distances ranging from 3.09–3.39 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.42 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.88 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Er, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Er, two equivalent Cu, and five Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCuGe by Materials Project

ErCuGe crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing ErCu6Ge6 cuboctahedra. There are three shorter (2.94 Å) and three longer (3.12 Å) Er–Cu bond lengths. There are three shorter (2.99 Å) and three longer (3.28 Å) Er–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Cu, and one Ge atom. All Cu–Cu bond lengths are 2.52 Å. The Cu–Ge bond length is 3.19 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Er, one Cu, and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗