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DOE OSTI2020

Materials Data on DyMn2(Cr2Ge3)2 by Materials Project

DyMn2(Cr2Ge3)2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Dy is bonded to four equivalent Mn and eight Ge atoms to form a mixture of distorted face and edge-sharing DyMn4Ge8 hexagonal bipyramids. All Dy–Mn bond lengths are 3.31 Å. There are two shorter (2.87 Å) and six longer (2.97 Å) Dy–Ge bond lengths. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent Mn and six Ge atoms. All Cr–Mn bond lengths are 2.57 Å. There are a spread of Cr–Ge bond distances ranging from 2.53–2.69 Å. In the second Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.55–2.69 Å. In the third Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.55–2.69 Å. Mn is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Mn–Mn bond lengths are 2.57 Å. There are four shorter (2.54 Å) and two longer (2.69 Å) Mn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to four Cr and two equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Dy, four Cr, and two equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, two equivalent Cr, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Cr, and one Ge atom.

36 MATERIALS SCIENCE↗
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Materials Data on PrGePd by Materials Project

PrPdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Pr–Pd bond distances ranging from 3.10–3.23 Å. There are a spread of Pr–Ge bond distances ranging from 3.20–3.37 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Pr–Pd bond distances ranging from 3.26–3.34 Å. There are a spread of Pr–Ge bond distances ranging from 3.11–3.21 Å. In the third Pr site, Pr is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Pr–Pd bond distances ranging from 3.07–3.28 Å. There are a spread of Pr–Ge bond distances ranging from 3.16–3.36 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Pr, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.20 Å. All Pd–Ge bond lengths are 2.61 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Pr, one Pd, and three equivalent Ge atoms. There are two shorter (2.61 Å) and one longer (2.67 Å) Pd–Ge bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Pr and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.63–3.02 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Pr and four Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Pr, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.83 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Pr, three Pd, and one Ge atom.

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Materials Data on Ho2Ge5Rh3 by Materials Project

Ho2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to six Rh and ten Ge atoms. There are a spread of Ho–Rh bond distances ranging from 3.17–3.58 Å. There are a spread of Ho–Ge bond distances ranging from 3.04–3.40 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.41–2.57 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Ho and six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.75 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Rh atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Ho, three Rh, and four Ge atoms. There are two shorter (2.69 Å) and two longer (2.95 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ho, three Rh, and four Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ho, three Rh, and two Ge atoms.

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Materials Data on ErGe2Pt by Materials Project

ErPtGe2 crystallizes in the orthorhombic Immm 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 six equivalent Pt and eight Ge atoms. There are four shorter (3.20 Å) and two longer (3.33 Å) Er–Pt bond lengths. There are six shorter (3.00 Å) and two longer (3.07 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Pt and ten Ge atoms. All Er–Pt bond lengths are 3.25 Å. There are a spread of Er–Ge bond distances ranging from 3.23–3.46 Å. Pt is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.49–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Er, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.43 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.41 Å.

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Materials Data on Hf2CuGe4 by Materials Project

CuGe4Hf2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to four equivalent Cu and eight Ge atoms to form distorted HfCu4Ge8 cuboctahedra that share corners with four equivalent HfCu4Ge8 cuboctahedra, edges with four equivalent HfCu4Ge8 cuboctahedra, edges with eight equivalent CuHf4Cu4Ge4 cuboctahedra, faces with four equivalent HfCu4Ge8 cuboctahedra, and faces with four equivalent CuHf4Cu4Ge4 cuboctahedra. There are two shorter (3.05 Å) and two longer (3.07 Å) Hf–Cu bond lengths. There are four shorter (2.80 Å) and four longer (2.87 Å) Hf–Ge bond lengths. In the second Hf site, Hf is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.77–3.14 Å. Cu is bonded to four equivalent Hf, four equivalent Cu, and four equivalent Ge atoms to form distorted CuHf4Cu4Ge4 cuboctahedra that share corners with four equivalent CuHf4Cu4Ge4 cuboctahedra, edges with eight equivalent HfCu4Ge8 cuboctahedra, faces with four equivalent HfCu4Ge8 cuboctahedra, and faces with eight equivalent CuHf4Cu4Ge4 cuboctahedra. All Cu–Cu bond lengths are 2.69 Å. There are two shorter (2.49 Å) and two longer (2.50 Å) Cu–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.69 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Cu atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Hf and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.65 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Hf and four equivalent Ge atoms.

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Materials Data on Zr2CuGe4 by Materials Project

Zr2CuGe4 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to four equivalent Cu and eight Ge atoms to form distorted ZrCu4Ge8 cuboctahedra that share corners with four equivalent ZrCu4Ge8 cuboctahedra, edges with four equivalent ZrCu4Ge8 cuboctahedra, edges with eight equivalent CuZr4Cu4Ge4 cuboctahedra, faces with four equivalent ZrCu4Ge8 cuboctahedra, and faces with four equivalent CuZr4Cu4Ge4 cuboctahedra. There are two shorter (3.09 Å) and two longer (3.10 Å) Zr–Cu bond lengths. There are four shorter (2.83 Å) and four longer (2.89 Å) Zr–Ge bond lengths. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.79–3.15 Å. Cu is bonded to four equivalent Zr, four equivalent Cu, and four equivalent Ge atoms to form distorted CuZr4Cu4Ge4 cuboctahedra that share corners with four equivalent CuZr4Cu4Ge4 cuboctahedra, edges with eight equivalent ZrCu4Ge8 cuboctahedra, faces with four equivalent ZrCu4Ge8 cuboctahedra, and faces with eight equivalent CuZr4Cu4Ge4 cuboctahedra. All Cu–Cu bond lengths are 2.70 Å. All Cu–Ge bond lengths are 2.49 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.70 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Zr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.64 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Zr and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on TbGe2Pt by Materials Project

TbPtGe2 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 Pt and eight Ge atoms. There are four shorter (3.22 Å) and two longer (3.30 Å) Tb–Pt bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.02–3.07 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four equivalent Pt and ten Ge atoms. All Tb–Pt bond lengths are 3.28 Å. There are a spread of Tb–Ge bond distances ranging from 3.26–3.44 Å. Pt is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.50–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.43 Å.

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Materials Data on Tb(FeGe)6 by Materials Project

TbFe6Ge6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded to twelve Fe and eight Ge atoms to form distorted TbFe12Ge8 hexagonal bipyramids that share corners with four equivalent TbFe12Ge8 hexagonal bipyramids, faces with eight equivalent FeTb2Fe4Ge6 cuboctahedra, and faces with four equivalent TbFe12Ge8 hexagonal bipyramids. There are a spread of Tb–Fe bond distances ranging from 3.25–3.30 Å. There are a spread of Tb–Ge bond distances ranging from 2.84–3.00 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, four Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.56 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.68 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, four Fe, and six Ge atoms. Both Fe–Fe bond lengths are 2.57 Å. There are four shorter (2.52 Å) and two longer (2.67 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded to two equivalent Tb, four Fe, and six Ge atoms to form distorted FeTb2Fe4Ge6 cuboctahedra that share corners with four equivalent FeTb2Fe4Ge6 cuboctahedra, edges with two equivalent FeTb2Fe4Ge6 cuboctahedra, faces with four equivalent FeTb2Fe4Ge6 cuboctahedra, and faces with four equivalent TbFe12Ge8 hexagonal bipyramids. Both Fe–Fe bond lengths are 2.57 Å. There are a spread of Fe–Ge bond distances ranging from 2.51–2.69 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Tb and six Fe atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six Fe atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Tb, six Fe, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to one Tb and six Fe atoms.

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Materials Data on Sc11(AlGe4)2 by Materials Project

Sc11(AlGe4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded to seven Ge atoms to form a mixture of distorted edge, corner, and face-sharing ScGe7 pentagonal bipyramids. There are a spread of Sc–Ge bond distances ranging from 2.75–3.14 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to two equivalent Al and five Ge atoms. Both Sc–Al bond lengths are 2.99 Å. There are a spread of Sc–Ge bond distances ranging from 2.74–2.80 Å. In the third Sc site, Sc is bonded in a 7-coordinate geometry to one Al and six Ge atoms. The Sc–Al bond length is 2.97 Å. There are a spread of Sc–Ge bond distances ranging from 2.61–3.16 Å. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to four equivalent Al and five Ge atoms. All Sc–Al bond lengths are 3.16 Å. There are four shorter (3.01 Å) and one longer (3.20 Å) Sc–Ge bond lengths. Al is bonded in a 11-coordinate geometry to seven Sc, two equivalent Al, and two equivalent Ge atoms. Both Al–Al bond lengths are 2.66 Å. Both Al–Ge bond lengths are 2.80 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Sc atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Sc atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to eight Sc, one Al, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to eight Sc atoms.

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Materials Data on TbGe2Pd by Materials Project

TbPdGe2 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 four equivalent Pd and ten Ge atoms. All Tb–Pd bond lengths are 3.27 Å. There are a spread of Tb–Ge bond distances ranging from 3.27–3.41 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Pd and eight Ge atoms. There are four shorter (3.22 Å) and two longer (3.33 Å) Tb–Pd bond lengths. There are six shorter (3.03 Å) and two longer (3.09 Å) Tb–Ge bond lengths. Pd is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.49–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.45 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.47 Å.

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Materials Data on LiCa2Ge3 by Materials Project

LiCa2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.68–2.84 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.95–3.18 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.41 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ca, and two Ge atoms. The Ge–Ge bond length is 2.61 Å.

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Materials Data on HoGe2Pt by Materials Project

HoPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Pt and ten Ge atoms. All Ho–Pt bond lengths are 3.26 Å. There are a spread of Ho–Ge bond distances ranging from 3.23–3.48 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Pt and eight Ge atoms. There are four shorter (3.21 Å) and two longer (3.33 Å) Ho–Pt bond lengths. There are six shorter (3.01 Å) and two longer (3.07 Å) Ho–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Ho and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.49–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Ho, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ho, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.41 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.44 Å.

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Materials Data on ErNiGe2 by Materials Project

ErNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.10 Å) and two longer (3.18 Å) Er–Ni bond lengths. There are a spread of Er–Ge bond distances ranging from 2.90–2.94 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Ni and ten Ge atoms. All Er–Ni bond lengths are 3.14 Å. There are a spread of Er–Ge bond distances ranging from 3.16–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Er, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.45 Å.

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Materials Data on La3Ge3Cl2 by Materials Project

La3Ge3Cl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to four Ge and four Cl atoms. There are two shorter (3.09 Å) and two longer (3.16 Å) La–Ge bond lengths. There are one shorter (2.91 Å) and three longer (3.04 Å) La–Cl bond lengths. In the second La site, La is bonded in a 1-coordinate geometry to eight Ge and one Cl atom. There are a spread of La–Ge bond distances ranging from 3.17–3.29 Å. The La–Cl bond length is 3.05 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Ge and three equivalent Cl atoms. There are a spread of La–Ge bond distances ranging from 3.12–3.43 Å. There are two shorter (3.09 Å) and one longer (3.19 Å) La–Cl bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. There are one shorter (2.56 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two Ge atoms. The Ge–Ge bond length is 2.60 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four La atoms to form a mixture of distorted edge and corner-sharing ClLa4 tetrahedra. In the second Cl site, Cl is bonded to four La atoms to form a mixture of distorted edge and corner-sharing ClLa4 trigonal pyramids.

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Materials Data on LiEu2Ge3 by Materials Project

LiEu2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to one Eu and five Ge atoms. The Li–Eu bond length is 3.38 Å. There are a spread of Li–Ge bond distances ranging from 2.72–2.88 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Eu–Ge bond distances ranging from 3.01–3.24 Å. In the second Eu site, Eu is bonded in a 5-coordinate geometry to one Li and nine Ge atoms. There are a spread of Eu–Ge bond distances ranging from 3.21–3.43 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, five Eu, and two Ge atoms. There are one shorter (2.52 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Eu, and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Eu, and two Ge atoms. The Ge–Ge bond length is 2.48 Å.

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Materials Data on LuNiGe2 by Materials Project

LuNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.13–3.28 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.07 Å) and two longer (3.18 Å) Lu–Ni bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.87–2.92 Å. Ni is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.34–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.43 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Dy7In(CoGe3)4 by Materials Project

Dy7In(CoGe3)4 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 11-coordinate geometry to two equivalent Co, two equivalent In, and seven Ge atoms. Both Dy–Co bond lengths are 3.05 Å. Both Dy–In bond lengths are 3.33 Å. There are a spread of Dy–Ge bond distances ranging from 2.95–3.08 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Dy–Co bond lengths are 3.35 Å. There are a spread of Dy–Ge bond distances ranging from 3.06–3.28 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Co and twelve Ge atoms. All Dy–Co bond lengths are 3.16 Å. There are eight shorter (3.00 Å) and four longer (3.20 Å) Dy–Ge bond lengths. Co is bonded in a 5-coordinate geometry to five Dy and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.34–2.46 Å. In is bonded to eight equivalent Dy and four equivalent Ge atoms to form face-sharing InDy8Ge4 cuboctahedra. All In–Ge bond lengths are 2.99 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to five Dy, two equivalent Co, and three Ge atoms. There are one shorter (2.59 Å) and two longer (2.96 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, one Co, one In, and one Ge atom. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Dy, two equivalent Co, and two equivalent Ge atoms.

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Materials Data on Dy2Co3Ge5 by Materials Project

Dy2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.89–3.23 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.41–2.71 Å. In the second Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.32–2.42 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Dy, three Co, and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.86 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy, three Co, and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Dy, three Co, and four Ge atoms.

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