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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm(CuGe)2 by Materials Project

TmCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Tm–Cu bond lengths are 3.28 Å. All Tm–Ge bond lengths are 3.09 Å. Cu is bonded to four equivalent Tm and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing CuTm4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tm, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm(CuGe)2 by Materials Project

TmCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Tm–Cu bond lengths are 3.14 Å. All Tm–Ge bond lengths are 3.26 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Tm, one Cu, and four equivalent Ge atoms. The Cu–Cu bond length is 2.33 Å. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(CuGe)4 by Materials Project

Tm3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.97 Å) and two longer (3.04 Å) Tm–Cu bond lengths. There are two shorter (2.97 Å) and four longer (3.02 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded to six Ge atoms to form distorted edge-sharing TmGe6 octahedra. There are four shorter (2.91 Å) and two longer (2.98 Å) Tm–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Tm, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.46–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tm and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCuGe by Materials Project

TmCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of face and edge-sharing TmCu6Ge6 cuboctahedra. All Tm–Cu bond lengths are 3.03 Å. All Tm–Ge bond lengths are 3.03 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.42 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCuGe by Materials Project

TmCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of face and edge-sharing TmCu6Ge6 cuboctahedra. All Tm–Cu bond lengths are 3.03 Å. All Tm–Ge bond lengths are 3.03 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗