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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb3(CuGe)4 by Materials Project

Tb3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.01 Å) and two longer (3.08 Å) Tb–Cu bond lengths. There are two shorter (3.00 Å) and four longer (3.07 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to six Ge atoms to form distorted edge-sharing TbGe6 octahedra. There are four shorter (2.95 Å) and two longer (3.03 Å) Tb–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Tb, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.52 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tb and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(CuGe)2 by Materials Project

TbCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Tb–Cu bond lengths are 3.29 Å. All Tb–Ge bond lengths are 3.12 Å. Cu is bonded to four equivalent Tb and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing CuTb4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.47 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCuGe by Materials Project

TbCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing TbCu6Ge6 cuboctahedra. There are three shorter (2.95 Å) and three longer (3.19 Å) Tb–Cu bond lengths. There are three shorter (2.97 Å) and three longer (3.17 Å) Tb–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2CuGe6 by Materials Project

Tb2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.99–3.14 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Tb–Cu bond lengths are 3.10 Å. There are a spread of Tb–Ge bond distances ranging from 3.11–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are one shorter (2.32 Å) and four longer (2.41 Å) Cu–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb, two equivalent Cu, and five Ge atoms. There are one shorter (2.47 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 Tb 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 Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Tb, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. The Ge–Ge bond length is 2.49 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb, two equivalent Cu, and five Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCuGe by Materials Project

TbCuGe is hexagonal omega structure-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing TbCu6Ge6 cuboctahedra. There are three shorter (3.05 Å) and three longer (3.08 Å) Tb–Cu bond lengths. There are three shorter (3.08 Å) and three longer (3.27 Å) Tb–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗