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Materials Data on SmGeRu by Materials Project

SmRuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Ru and six equivalent Ge atoms. There are two shorter (3.00 Å) and two longer (3.02 Å) Sm–Ru bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.10–3.27 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.53–2.61 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ru atoms.

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Materials Data on Sm(GeRu)2 by Materials Project

SmRu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Sm–Ru bond lengths are 3.30 Å. All Sm–Ge bond lengths are 3.31 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.64 Å.

36 MATERIALS SCIENCE↗

Materials Data on Sm2Ge2Ru by Materials Project

Sm2RuGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Sm–Ru bond lengths are 3.37 Å. There are a spread of Sm–Ge bond distances ranging from 2.96–3.34 Å. In the second Sm site, Sm is bonded in a 2-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.13–3.29 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.49 Å. Ru is bonded in a 4-coordinate geometry to six Sm and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.48–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm, one Ru, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.91 Å.

36 MATERIALS SCIENCE↗

Materials Data on Sm3(Ge2Ru)2 by Materials Project

Sm3Ru2Ge4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.12–3.42 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.10–3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.01–3.23 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Sm and four Ge atoms. There are three shorter (2.45 Å) and one longer (2.53 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Sm, one Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Sm and three equivalent Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sm2Ge5Ru3 by Materials Project

Sm2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.22–3.52 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.48 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.53 Å) and two longer (2.61 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.45–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Sm, three Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Sm, three Ru, and four Ge atoms. Both Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on SmGeRu by Materials Project

SmRuGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Ge atoms. All Sm–Ru bond lengths are 3.02 Å. There are four shorter (3.15 Å) and one longer (3.32 Å) Sm–Ge bond lengths. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sm2GeRu3 by Materials Project

Sm2Ru3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm, nine equivalent Ru, and three equivalent Ge atoms. There are one shorter (3.13 Å) and three longer (3.37 Å) Sm–Sm bond lengths. There are three shorter (3.00 Å) and six longer (3.21 Å) Sm–Ru bond lengths. All Sm–Ge bond lengths are 3.27 Å. Ru is bonded to six equivalent Sm, four equivalent Ru, and two equivalent Ge atoms to form distorted RuSm6Ge2Ru4 cuboctahedra that share corners with four equivalent GeSm6Ru6 cuboctahedra, corners with fourteen equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent RuSm6Ge2Ru4 cuboctahedra, faces with six equivalent GeSm6Ru6 cuboctahedra, and faces with twelve equivalent RuSm6Ge2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.80 Å. Both Ru–Ge bond lengths are 2.61 Å. Ge is bonded to six equivalent Sm and six equivalent Ru atoms to form GeSm6Ru6 cuboctahedra that share corners with six equivalent GeSm6Ru6 cuboctahedra, corners with twelve equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent GeSm6Ru6 cuboctahedra, and faces with eighteen equivalent RuSm6Ge2Ru4 cuboctahedra.

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