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DOE OSTI2020

Materials Data on La2Mn3CuGe4 by Materials Project

La2Mn3CuGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to six Mn, two equivalent Cu, and eight Ge atoms. There are two shorter (3.40 Å) and four longer (3.41 Å) La–Mn bond lengths. Both La–Cu bond lengths are 3.40 Å. There are four shorter (3.21 Å) and four longer (3.24 Å) La–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent La and four equivalent Ge atoms to form MnLa4Ge4 tetrahedra that share corners with eight equivalent CuLa4Mn4Ge4 cuboctahedra, corners with four equivalent MnLa4Cu4Ge4 tetrahedra, edges with six MnLa4Ge4 tetrahedra, and faces with four equivalent MnLa4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.47 Å. In the second Mn site, Mn is bonded to four equivalent La, four equivalent Cu, and four equivalent Ge atoms to form distorted MnLa4Cu4Ge4 tetrahedra that share corners with sixteen MnLa4Ge4 tetrahedra, edges with two equivalent MnLa4Ge4 tetrahedra, faces with four equivalent CuLa4Mn4Ge4 cuboctahedra, and faces with four equivalent MnLa4Cu4Ge4 tetrahedra. All Mn–Cu bond lengths are 2.93 Å. All Mn–Ge bond lengths are 2.49 Å. In the third Mn site, Mn is bonded to four equivalent La and four equivalent Ge atoms to form MnLa4Ge4 tetrahedra that share corners with four equivalent CuLa4Mn4Ge4 cuboctahedra, corners with eight equivalent MnLa4Cu4Ge4 tetrahedra, edges with two equivalent CuLa4Mn4Ge4 cuboctahedra, edges with four equivalent MnLa4Ge4 tetrahedra, and faces with four equivalent MnLa4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.47 Å. Cu is bonded to four equivalent La, four equivalent Mn, and four equivalent Ge atoms to form distorted CuLa4Mn4Ge4 cuboctahedra that share corners with four equivalent CuLa4Mn4Ge4 cuboctahedra, corners with twelve MnLa4Ge4 tetrahedra, edges with two equivalent MnLa4Ge4 tetrahedra, faces with four equivalent CuLa4Mn4Ge4 cuboctahedra, and faces with four equivalent MnLa4Cu4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Mn, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four Mn, and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on EuAlGe by Materials Project

EuAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Eu is bonded to six equivalent Al and six Ge atoms to form a mixture of edge and face-sharing EuAl6Ge6 cuboctahedra. There are two shorter (3.31 Å) and four longer (3.32 Å) Eu–Al bond lengths. There are two shorter (3.31 Å) and four longer (3.32 Å) Eu–Ge bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Ge atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Al–Eu bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Al atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Ge–Eu bond lengths. The Ge–Al bond length is 2.48 Å. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Al atoms. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Al atoms. In the fourth Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Al atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Ge–Eu bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Ge–Al bond lengths.

36 MATERIALS SCIENCE↗
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Materials Data on U2Cu3NiGe4 by Materials Project

U2NiCu3Ge4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to two equivalent Ni, six Cu, and eight Ge atoms. Both U–Ni bond lengths are 3.25 Å. There are two shorter (3.25 Å) and four longer (3.29 Å) U–Cu bond lengths. There are four shorter (3.12 Å) and four longer (3.13 Å) U–Ge bond lengths. Ni is bonded to four equivalent U and four equivalent Ge atoms to form distorted NiU4Ge4 tetrahedra that share corners with twelve CuU4Ge4 tetrahedra, edges with two equivalent CuU4Ge4 tetrahedra, edges with four equivalent NiU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Ni–Ge bond lengths are 2.40 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with four equivalent CuU4Ge4 tetrahedra, corners with eight equivalent NiU4Ge4 tetrahedra, edges with six CuU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.44 Å. In the second Cu site, Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with twelve CuU4Ge4 tetrahedra, edges with six CuU4Ge4 tetrahedra, and faces with four equivalent NiU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.40 Å. In the third Cu site, Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with four equivalent NiU4Ge4 tetrahedra, corners with eight equivalent CuU4Ge4 tetrahedra, edges with two equivalent NiU4Ge4 tetrahedra, edges with four equivalent CuU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Ni, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Cu, and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on Pr2Mn3CoGe4 by Materials Project

Pr2Mn3CoGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to six Mn, two equivalent Co, and eight Ge atoms. There are two shorter (3.38 Å) and four longer (3.41 Å) Pr–Mn bond lengths. Both Pr–Co bond lengths are 3.38 Å. There are four shorter (3.18 Å) and four longer (3.19 Å) Pr–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form MnPr4Ge4 tetrahedra that share corners with eight equivalent CoPr4Mn4Ge4 cuboctahedra, corners with four equivalent MnPr4Co4Ge4 tetrahedra, edges with six MnPr4Ge4 tetrahedra, and faces with four equivalent MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. In the second Mn site, Mn is bonded to four equivalent Pr, four equivalent Co, and four equivalent Ge atoms to form distorted MnPr4Co4Ge4 tetrahedra that share corners with sixteen MnPr4Ge4 tetrahedra, edges with two equivalent MnPr4Ge4 tetrahedra, faces with four equivalent CoPr4Mn4Ge4 cuboctahedra, and faces with four equivalent MnPr4Co4Ge4 tetrahedra. All Mn–Co bond lengths are 2.87 Å. All Mn–Ge bond lengths are 2.43 Å. In the third Mn site, Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form MnPr4Ge4 tetrahedra that share corners with four equivalent CoPr4Mn4Ge4 cuboctahedra, corners with eight equivalent MnPr4Co4Ge4 tetrahedra, edges with two equivalent CoPr4Mn4Ge4 cuboctahedra, edges with four equivalent MnPr4Ge4 tetrahedra, and faces with four equivalent MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Co is bonded to four equivalent Pr, four equivalent Mn, and four equivalent Ge atoms to form distorted CoPr4Mn4Ge4 cuboctahedra that share corners with four equivalent CoPr4Mn4Ge4 cuboctahedra, corners with twelve MnPr4Ge4 tetrahedra, edges with two equivalent MnPr4Ge4 tetrahedra, faces with four equivalent CoPr4Mn4Ge4 cuboctahedra, and faces with four equivalent MnPr4Co4Ge4 tetrahedra. All Co–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 Pr, two equivalent Mn, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four Mn, and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on Ce2CoGe4Ru3 by Materials Project

Ce2Ru3CoGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to six Ru, two equivalent Co, and eight Ge atoms. All Ce–Ru bond lengths are 3.28 Å. Both Ce–Co bond lengths are 3.28 Å. There are four shorter (3.24 Å) and four longer (3.26 Å) Ce–Ge bond lengths. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.44 Å. In the second Ru site, Ru is bonded to four equivalent Ce and four equivalent Ge atoms to form distorted RuCe4Ge4 cuboctahedra that share edges with four equivalent RuCe4Ge4 cuboctahedra and faces with four equivalent CoCe4Ge4 cuboctahedra. All Ru–Ge bond lengths are 2.42 Å. In the third Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.44 Å. Co is bonded to four equivalent Ce and four equivalent Ge atoms to form distorted CoCe4Ge4 cuboctahedra that share edges with four equivalent CoCe4Ge4 cuboctahedra and faces with four equivalent RuCe4Ge4 cuboctahedra. All Co–Ge bond lengths are 2.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Ru, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four Ru, and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on Cd2(GeO3)3 by Materials Project

Cd2(GeO3)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.40 Å. In the second Cd site, Cd is bonded to six O atoms to form distorted CdO6 octahedra that share corners with five GeO4 tetrahedra, an edgeedge with one CdO6 octahedra, and an edgeedge with one GeO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.27–2.45 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra, corners with two equivalent CdO6 octahedra, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra, an edgeedge with one CdO6 octahedra, and an edgeedge with one GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–1.95 Å. In the third Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with three equivalent CdO6 octahedra, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–64°. There is one shorter (1.77 Å) and three longer (1.79 Å) Ge–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Cd and two Ge atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Cd and two Ge atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Ge atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Cd and two Ge atoms. In the fifth O site, O is bonded in a water-like geometry to two equivalent Ge atoms. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Cd and one Ge atom. In the seventh O site, O is bonded to three Cd and one Ge atom to form distorted edge-sharing OCd3Ge trigonal pyramids. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Cd and one Ge atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to two Cd and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on NdGe2Pt by Materials Project

NdPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Nd–Pt bond lengths are 3.33 Å. There are a spread of Nd–Ge bond distances ranging from 3.31–3.45 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. All Nd–Pt bond lengths are 3.29 Å. There are four shorter (3.06 Å) and four longer (3.09 Å) Nd–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Mn4Fe8SiGe3 by Materials Project

Mn4Fe8Ge3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe and three equivalent Ge atoms. There are a spread of Mn–Fe bond distances ranging from 2.46–2.51 Å. All Mn–Ge bond lengths are 2.84 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe, three equivalent Ge, and three equivalent Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.40–2.48 Å. All Mn–Ge bond lengths are 2.84 Å. All Mn–Si bond lengths are 2.84 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.47 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.49 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. In the fourth Fe site, Fe is bonded in a body-centered cubic geometry to four Mn, three equivalent Ge, and one Si atom. All Fe–Ge bond lengths are 2.48 Å. The Fe–Si bond length is 2.40 Å. In the fifth Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and three longer (2.48 Å) Fe–Mn bond lengths. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to eight Fe atoms. Si is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Fe atoms.

36 MATERIALS SCIENCE↗
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Materials Data on DyGe2Ir by Materials Project

DyIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Dy–Ir bond lengths are 3.18 Å. There are a spread of Dy–Ge bond distances ranging from 3.27–3.40 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are four shorter (3.24 Å) and two longer (3.27 Å) Dy–Ir bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.95–3.48 Å. Ir is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Dy and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Dy, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.72 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Sm2Ga9NiGe2 by Materials Project

Sm2NiGa9Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to ten Ga and four Ge atoms. There are four shorter (3.29 Å) and six longer (3.30 Å) Sm–Ga bond lengths. There are two shorter (3.01 Å) and two longer (3.18 Å) Sm–Ge bond lengths. In the second Sm site, Sm is bonded in a 2-coordinate geometry to ten Ga and four Ge atoms. There are four shorter (3.29 Å) and six longer (3.30 Å) Sm–Ga bond lengths. There are two shorter (3.01 Å) and two longer (3.18 Å) Sm–Ge bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.48 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. There are one shorter (2.62 Å) and two longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. Both Ga–Sm bond lengths are 3.29 Å. There are one shorter (2.62 Å) and two longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the fifth Ga site, Ga is bonded in a 6-coordinate geometry to two Sm and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.64 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Sm, four equivalent Ga, and one Ge atom. The Ga–Ge bond length is 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Sm and five Ga atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Sm and four Ga atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LaAlGe by Materials Project

LaAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing LaAl6Ge6 cuboctahedra. There are two shorter (3.30 Å) and four longer (3.33 Å) La–Al bond lengths. There are two shorter (3.30 Å) and four longer (3.33 Å) La–Ge bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three Ge atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Al–La bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three equivalent Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Ge–La bond lengths. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Ge–La bond lengths. Both Ge–Al bond lengths are 2.51 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Ho3Ge4 by Materials Project

Ho3Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.89–3.17 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.09 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ho and three Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Y3Ge5 by Materials Project

Y3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.98–3.09 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.95–3.50 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to five Y and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y and three Ge atoms. The Ge–Ge bond length is 2.60 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Y and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Ge4 by Materials Project

Y3Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.92–3.19 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Y–Ge bond distances ranging from 3.00–3.11 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Y and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.87 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Y and three Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ce2(ZnGe2)3 by Materials Project

Ce2(ZnGe2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.27 Å) and four longer (3.30 Å) Ce–Zn bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.11–3.23 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.28 Å) and four longer (3.39 Å) Ce–Zn bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.11–3.22 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four Ce and four Ge atoms to form a mixture of distorted edge and face-sharing ZnCe4Ge4 tetrahedra. There are two shorter (2.61 Å) and two longer (2.69 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to four Ce and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.59 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two Ce, one Zn, and three equivalent Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ce and five Zn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Ce and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Nd2(ZnGe2)3 by Materials Project

Nd2(ZnGe2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.27 Å) and four longer (3.42 Å) Nd–Zn bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.12–3.20 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.27 Å) and four longer (3.35 Å) Nd–Zn bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.12–3.21 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are one shorter (2.52 Å) and four longer (2.60 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded to four Nd and four Ge atoms to form a mixture of distorted edge and face-sharing ZnNd4Ge4 tetrahedra. There are two shorter (2.61 Å) and two longer (2.68 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Nd and five Zn atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two Nd, one Zn, and three equivalent Ge atoms. There are one shorter (2.50 Å) and two longer (2.57 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2(ZnGe2)3 by Materials Project

Pr2(ZnGe2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.28 Å) and four longer (3.35 Å) Pr–Zn bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.13–3.23 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.29 Å) and four longer (3.42 Å) Pr–Zn bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.14–3.22 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four Pr and four Ge atoms to form a mixture of distorted face and edge-sharing ZnPr4Ge4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.68 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to four Pr and five Ge atoms. There are one shorter (2.54 Å) and four longer (2.62 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two Pr, one Zn, and three equivalent Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Pr and five Zn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Pr and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3Co2Ge7 by Materials Project

U3Co2Ge7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All U–Co bond lengths are 3.28 Å. There are a spread of U–Ge bond distances ranging from 3.07–3.23 Å. In the second U site, U is bonded to twelve Ge atoms to form a mixture of distorted corner and face-sharing UGe12 cuboctahedra. There are a spread of U–Ge bond distances ranging from 2.94–3.03 Å. Co is bonded in a 5-coordinate geometry to four equivalent U and five Ge atoms. All Co–Ge bond lengths are 2.31 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent U, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to four U and two equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to four U and two equivalent Co atoms.

36 MATERIALS SCIENCE↗