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DOE OSTI2020

Materials Data on Fe3Co3Ge2 by Materials Project

(FeCo)3Ge2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Co and four Ge atoms. There are one shorter (2.41 Å) and three longer (2.43 Å) Fe–Co bond lengths. There are one shorter (2.44 Å) and three longer (2.51 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to seven Co and four Ge atoms. There are a spread of Fe–Co bond distances ranging from 2.42–2.87 Å. There are one shorter (2.41 Å) and three longer (2.48 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a 8-coordinate geometry to seven Co and four Ge atoms. There are a spread of Fe–Co bond distances ranging from 2.53–2.80 Å. There are three shorter (2.47 Å) and one longer (2.56 Å) Fe–Ge bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to five Fe, three equivalent Co, and six Ge atoms. All Co–Co bond lengths are 2.55 Å. There are three shorter (2.77 Å) and three longer (2.92 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to seven Fe, one Co, and six Ge atoms. The Co–Co bond length is 2.52 Å. There are three shorter (2.82 Å) and three longer (2.93 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 4-coordinate geometry to six Fe, four Co, and four Ge atoms. There are three shorter (2.45 Å) and one longer (2.50 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to five Fe and nine Co atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to seven Fe and seven Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Ge2Ru by Materials Project

Er2RuGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Er–Ru bond distances ranging from 3.05–3.15 Å. There are a spread of Er–Ge bond distances ranging from 2.93–3.41 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Er–Ru bond lengths are 3.27 Å. There are a spread of Er–Ge bond distances ranging from 2.90–3.17 Å. Ru is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.45–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Er, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Er, one Ru, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Y6Ge2O13F3 by Materials Project

Y6Ge2O13F3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to seven O and one F atom. There are a spread of Y–O bond distances ranging from 2.29–2.44 Å. The Y–F bond length is 2.53 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to six O and two F atoms. There are a spread of Y–O bond distances ranging from 2.27–2.42 Å. Both Y–F bond lengths are 2.50 Å. In the third Y site, Y is bonded to six O and one F atom to form distorted YO6F pentagonal bipyramids that share corners with two equivalent GeO5 trigonal bipyramids and an edgeedge with one GeO5 trigonal bipyramid. There are a spread of Y–O bond distances ranging from 2.23–2.36 Å. The Y–F bond length is 2.39 Å. In the fourth Y site, Y is bonded in a 7-coordinate geometry to five O and two F atoms. There are a spread of Y–O bond distances ranging from 2.31–2.39 Å. There are one shorter (2.26 Å) and one longer (2.35 Å) Y–F bond lengths. In the fifth Y site, Y is bonded in a 7-coordinate geometry to six O and one F atom. There are a spread of Y–O bond distances ranging from 2.32–2.39 Å. The Y–F bond length is 2.27 Å. In the sixth Y site, Y is bonded in a 7-coordinate geometry to five O and two F atoms. There are a spread of Y–O bond distances ranging from 2.29–2.44 Å. There are one shorter (2.24 Å) and one longer (2.39 Å) Y–F bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to five O atoms to form distorted GeO5 trigonal bipyramids that share an edgeedge with one YO6F pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.79–1.90 Å. In the second Ge site, Ge is bonded to five O atoms to form distorted GeO5 trigonal bipyramids that share corners with two equivalent YO6F pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.79–1.92 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the second O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the third O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the fourth O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the fifth O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the sixth O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the seventh O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the eighth O site, O is bonded to three Y and one Ge atom to form a mixture of edge and corner-sharing OY3Ge tetrahedra. In the ninth O site, O is bonded in a distorted linear geometry to one Y and one Ge atom. In the tenth O site, O is bonded in a 2-coordinate geometry to one Y and one Ge atom. In the eleventh O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the twelfth O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the thirteenth O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. There are three inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms. In the third F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms.

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Materials Data on Dy2AlGe3 by Materials Project

AlDy2Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Dy–Al bond lengths are 3.33 Å. There are a spread of Dy–Ge bond distances ranging from 2.98–3.34 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.96–3.07 Å. Al is bonded to two equivalent Dy and four Ge atoms to form distorted AlDy2Ge4 tetrahedra that share corners with two equivalent GeDy4Al3 pentagonal bipyramids and edges with four equivalent AlDy2Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.56–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Dy and three equivalent Al atoms to form distorted GeDy4Al3 pentagonal bipyramids that share corners with two equivalent AlDy2Ge4 tetrahedra and edges with six equivalent GeDy4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Dy and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, one Al, and two equivalent Ge atoms.

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Materials Data on U2Ti3Ge4 by Materials Project

U2Ti3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.85–3.05 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.60–2.73 Å. In the second Ti site, Ti is bonded to six Ge atoms to form corner-sharing TiGe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.72 Å) and four longer (2.76 Å) Ti–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ti, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Ti, and one Ge atom. The Ge–Ge bond length is 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni11(GeTe2)2 by Materials Project

Ni11(GeTe2)2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Ni11(GeTe2)2 sheet oriented in the (0, 0, 1) direction. there are seven inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni, two equivalent Ge, and two equivalent Te atoms to form distorted NiNi8Ge2Te2 cuboctahedra that share corners with four equivalent NiNi8Ge2Te2 cuboctahedra, edges with four equivalent NiNi8Ge4 cuboctahedra, edges with four equivalent GeNi12 cuboctahedra, edges with four equivalent TeNi8 hexagonal bipyramids, edges with four equivalent NiNi4Te5 square pyramids, faces with two equivalent GeNi12 cuboctahedra, faces with ten NiNi8Ge2Te2 cuboctahedra, faces with two equivalent TeNi8 hexagonal bipyramids, and faces with two equivalent NiNi4Te5 square pyramids. There are a spread of Ni–Ni bond distances ranging from 2.50–2.71 Å. Both Ni–Ge bond lengths are 2.49 Å. Both Ni–Te bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to six Ni, two equivalent Ge, and two equivalent Te atoms. There are two shorter (2.51 Å) and four longer (2.62 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.51 Å. Both Ni–Te bond lengths are 2.52 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to six Ni, two equivalent Ge, and two equivalent Te atoms. There are two shorter (2.51 Å) and four longer (2.62 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.51 Å. Both Ni–Te bond lengths are 2.50 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to six Ni, two equivalent Ge, and two equivalent Te atoms. There are two shorter (2.50 Å) and four longer (2.62 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.51 Å. Both Ni–Te bond lengths are 2.51 Å. In the fifth Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent NiNi8Ge4 cuboctahedra, faces with four equivalent NiNi8Ge4 cuboctahedra, and faces with four equivalent GeNi12 cuboctahedra. All Ni–Ge bond lengths are 2.62 Å. In the sixth Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent NiNi8Ge4 cuboctahedra, corners with four equivalent TeNi8 hexagonal bipyramids, edges with eight equivalent NiNi8Ge2Te2 cuboctahedra, edges with four equivalent NiNi4Te5 square pyramids, faces with four equivalent GeNi12 cuboctahedra, faces with eight NiNi8Ge2Te2 cuboctahedra, and a faceface with one TeNi8 hexagonal bipyramid. All Ni–Ge bond lengths are 2.62 Å. In the seventh Ni site, Ni is bonded to four equivalent Ni and five Te atoms to form distorted NiNi4Te5 square pyramids that share corners with four equivalent GeNi12 cuboctahedra, corners with four equivalent NiNi4Te5 square pyramids, edges with twelve NiNi8Ge2Te2 cuboctahedra, edges with four equivalent TeNi8 hexagonal bipyramids, a faceface with one GeNi12 cuboctahedra, faces with four equivalent NiNi8Ge2Te2 cuboctahedra, and faces with four equivalent NiNi4Te5 square pyramids. There are one shorter (2.51 Å) and four longer (2.62 Å) Ni–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to twelve Ni atoms to form GeNi12 cuboctahedra that share corners with four equivalent GeNi12 cuboctahedra, faces with four equivalent NiNi8Ge4 cuboctahedra, and faces with four equivalent GeNi12 cuboctahedra. In the second Ge site, Ge is bonded to twelve Ni atoms to form GeNi12 cuboctahedra that share corners with four equivalent GeNi12 cuboctahedra, corners with four equivalent NiNi4Te5 square pyramids, edges with eight equivalent NiNi8Ge2Te2 cuboctahedra, edges with four equivalent TeNi8 hexagonal bipyramids, faces with four equivalent GeNi12 cuboctahedra, faces with eight NiNi8Ge2Te2 cuboctahedra, and a faceface with one NiNi4Te5 square pyramid. There are four inequivalent Te sites. In the first Te site, Te is bonded to eight Ni atoms to form distorted TeNi8 hexagonal bipyramids that share corners with four equivalent NiNi8Ge4 cuboctahedra, corners with four equivalent TeNi8 hexagonal bipyramids, edges with four equivalent GeNi12 cuboctahedra, edges with eight equivalent NiNi8Ge2Te2 cuboctahedra, edges with four equivalent NiNi4Te5 square pyramids, faces with five NiNi8Ge2Te2 cuboctahedra, and faces with four equivalent TeNi8 hexagonal bipyramids. In the second Te site, Te is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the third Te site, Te is bonded in a 5-coordinate geometry to five Ni atoms. In the fourth Te site, Te is bonded in a 4-coordinate geometry to four equivalent Ni atoms.

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DOE OSTI2020

Materials Data on Dy2Ge5Ir3 by Materials Project

Dy2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Dy–Ir bond distances ranging from 3.13–3.56 Å. There are a spread of Dy–Ge bond distances ranging from 2.98–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Dy and six Ge atoms. There are four shorter (2.53 Å) and two longer (2.64 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to four equivalent Dy, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy, three Ir, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2CoGe2 by Materials Project

Ho2CoGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to two equivalent Co and six Ge atoms. Both Ho–Co bond lengths are 3.16 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.08 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to four equivalent Co and seven Ge atoms. There are a spread of Ho–Co bond distances ranging from 3.02–3.08 Å. There are a spread of Ho–Ge bond distances ranging from 2.91–3.22 Å. Co is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.39–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Co, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.82 Å.

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Materials Data on La2Ge4IrPd3 by Materials Project

La2IrPd3Ge4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Pd and eight Ge atoms. There are four shorter (3.37 Å) and four longer (3.39 Å) La–Pd bond lengths. There are four shorter (3.31 Å) and four longer (3.40 Å) La–Ge bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to four equivalent Ir, four equivalent Pd, and eight Ge atoms. All La–Ir bond lengths are 3.38 Å. All La–Pd bond lengths are 3.37 Å. There are four shorter (3.30 Å) and four longer (3.37 Å) La–Ge bond lengths. Ir is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.53 Å) Ir–Ge bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.56 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to four La and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.59 Å) Pd–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 La, one Ir, and four equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La and five Pd atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four La, two equivalent Ir, and two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Sc3(Ge2Mo)2 by Materials Project

Sc3(MoGe2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to two equivalent Mo and six Ge atoms. Both Sc–Mo bond lengths are 3.17 Å. There are a spread of Sc–Ge bond distances ranging from 2.58–2.98 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to two equivalent Mo and six Ge atoms. There are one shorter (3.16 Å) and one longer (3.34 Å) Sc–Mo bond lengths. There are a spread of Sc–Ge bond distances ranging from 2.61–2.80 Å. Mo is bonded in a 6-coordinate geometry to three Sc and seven Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.71–3.16 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Mo, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Sc, four equivalent Mo, and one Ge atom. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Sc and four equivalent Mo atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Pr2Ge5Ru3 by Materials Project

Pr2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Pr–Ru bond distances ranging from 3.25–3.51 Å. There are a spread of Pr–Ge bond distances ranging from 3.03–3.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.52 Å) and two longer (2.66 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.46–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ru atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Pr, three Ru, and four Ge atoms. There are two shorter (2.70 Å) and two longer (2.95 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Pr, three Ru, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5Ge4 by Materials Project

Ce5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ce–Ge bond distances ranging from 2.96–3.12 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.05–3.66 Å. In the third Ce site, Ce is bonded to six Ge atoms to form corner-sharing CeGe6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Ce–Ge bond distances ranging from 3.07–3.20 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Ce atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on Tm5Ge4 by Materials Project

Tm5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.82–3.00 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.93–3.42 Å. In the third Tm site, Tm is bonded to six Ge atoms to form corner-sharing TmGe6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Tm–Ge bond distances ranging from 2.88–3.09 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Tm and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Tm atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Tm and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on Gd3(CoGe2)2 by Materials Project

Gd3(CoGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to four equivalent Co and eight Ge atoms. There are a spread of Gd–Co bond distances ranging from 2.89–3.27 Å. There are a spread of Gd–Ge bond distances ranging from 2.99–3.28 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Gd–Ge bond distances ranging from 3.02–3.36 Å. Co is bonded in a 4-coordinate geometry to four equivalent Gd and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Gd, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 3.07 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Gd, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
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Materials Data on NdSm(MnGe)4 by Materials Project

SmNd(MnGe)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Sm–Ge bond lengths are 3.13 Å. Nd is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Nd–Ge bond lengths are 3.13 Å. Mn is bonded to four Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.71 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.67 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2ZnGe3 by Materials Project

Eu2ZnGe3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Zn and ten Ge atoms to form a mixture of edge and face-sharing EuZn2Ge10 cuboctahedra. Both Eu–Zn bond lengths are 3.34 Å. There are six shorter (3.30 Å) and four longer (3.32 Å) Eu–Ge bond lengths. In the second Eu site, Eu is bonded to four equivalent Zn and eight Ge atoms to form a mixture of edge and face-sharing EuZn4Ge8 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. There are four shorter (3.29 Å) and four longer (3.30 Å) Eu–Ge bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Eu and three Ge atoms. There are two shorter (2.42 Å) and one longer (2.44 Å) Zn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to six Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to six Eu, one Zn, and two Ge atoms. The Ge–Ge bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(CoGe2)2 by Materials Project

Er3Co2Ge4 crystallizes in the monoclinic C2/m 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 four equivalent Co and eight Ge atoms. There are a spread of Er–Co bond distances ranging from 2.87–3.20 Å. There are a spread of Er–Ge bond distances ranging from 2.95–3.25 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.97–3.32 Å. Co is bonded in a 4-coordinate geometry to four equivalent Er and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.35–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Er, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.96 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Er, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Nd2Ge5Ir3 by Materials Project

Nd2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Nd–Ir bond distances ranging from 3.18–3.59 Å. There are a spread of Nd–Ge bond distances ranging from 3.03–3.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Nd and six Ge atoms. There are four shorter (2.55 Å) and two longer (2.68 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.42–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, three Ir, and two equivalent Ge atoms.

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