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DOE OSTI2020

Materials Data on Tb5(Ge5Ir2)2 by Materials Project

Tb5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Tb–Ir bond lengths are 3.22 Å. There are eight shorter (3.00 Å) and four longer (3.37 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to four equivalent Ir and eight Ge atoms to form face-sharing TbGe8Ir4 cuboctahedra. All Tb–Ir bond lengths are 3.14 Å. There are a spread of Tb–Ge bond distances ranging from 2.96–3.09 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Tb–Ir bond lengths are 3.35 Å. There are eight shorter (3.30 Å) and two longer (3.37 Å) Tb–Ge bond lengths. Ir is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Tb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.91 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Er9(FeGe)10 by Materials Project

Er9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.09 Å) and two longer (3.25 Å) Er–Fe bond lengths. There are a spread of Er–Ge bond distances ranging from 2.92–3.08 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.95 Å) and four longer (3.13 Å) Er–Fe bond lengths. There are a spread of Er–Ge bond distances ranging from 2.82–3.09 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to four equivalent Fe and six Ge atoms. All Er–Fe bond lengths are 3.15 Å. There are a spread of Er–Ge bond distances ranging from 2.89–3.21 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to twelve Fe and two equivalent Ge atoms. There are four shorter (2.98 Å) and eight longer (3.20 Å) Er–Fe bond lengths. Both Er–Ge bond lengths are 2.93 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to five Er, three Fe, and four Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.73 Å. There are a spread of Fe–Ge bond distances ranging from 2.47–2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Er, five Fe, and two equivalent Ge atoms. The Fe–Fe bond length is 2.61 Å. Both Fe–Ge bond lengths are 2.64 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Er and two equivalent Ge atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Er and four equivalent Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Er and four equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to four Er and six Fe atoms.

36 MATERIALS SCIENCE↗
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Materials Data on DyGePd by Materials Project

DyPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.12 Å) and four longer (3.13 Å) Dy–Pd bond lengths. There are four shorter (3.10 Å) and two longer (3.21 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Dy–Pd bond distances ranging from 2.96–3.21 Å. There are a spread of Dy–Ge bond distances ranging from 3.04–3.27 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.22 Å) and four longer (3.25 Å) Dy–Pd bond lengths. There are two shorter (3.00 Å) and four longer (3.02 Å) Dy–Ge bond lengths. In the fourth Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.05–3.15 Å. There are a spread of Dy–Ge bond distances ranging from 3.09–3.23 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Dy and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.76 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Dy and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.93 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Dy, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.04 Å. There are two shorter (2.56 Å) and one longer (2.58 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Dy, three Pd, and one Ge atom. The Ge–Ge bond length is 2.73 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Dy and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Dy and four Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Lu5(Ge5Ir2)2 by Materials Project

Lu5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Lu–Ir bond lengths are 3.22 Å. There are eight shorter (2.94 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Ir and eight Ge atoms to form face-sharing LuGe8Ir4 cuboctahedra. All Lu–Ir bond lengths are 3.10 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–3.09 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Lu–Ir bond lengths are 3.31 Å. There are a spread of Lu–Ge bond distances ranging from 3.26–3.39 Å. Ir is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.43 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Lu, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.84 Å.

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Materials Data on Er5(Ge5Rh2)2 by Materials Project

Er5Rh4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Er–Rh bond lengths are 3.22 Å. There are eight shorter (2.98 Å) and four longer (3.35 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight Ge atoms to form distorted face-sharing ErGe8Rh4 cuboctahedra. All Er–Rh bond lengths are 3.10 Å. There are a spread of Er–Ge bond distances ranging from 2.95–3.16 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to four equivalent Rh and ten Ge atoms. All Er–Rh bond lengths are 3.34 Å. There are a spread of Er–Ge bond distances ranging from 3.21–3.32 Å. Rh is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Er, two equivalent Rh, and three Ge atoms. There are one shorter (2.56 Å) and two longer (3.02 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Er, two equivalent Rh, and four Ge atoms. Both Ge–Ge bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Yb5(Ge5Ir2)2 by Materials Project

Yb5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Yb–Ir bond lengths are 3.23 Å. There are eight shorter (2.98 Å) and four longer (3.31 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Ir and eight Ge atoms to form distorted face-sharing YbGe8Ir4 cuboctahedra. All Yb–Ir bond lengths are 3.14 Å. There are a spread of Yb–Ge bond distances ranging from 2.92–3.11 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Yb–Ir bond lengths are 3.33 Å. There are a spread of Yb–Ge bond distances ranging from 3.27–3.41 Å. Ir is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.45–2.56 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Yb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Yb, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5(Ge5Ir2)2 by Materials Project

Er5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Er–Ir bond lengths are 3.22 Å. There are eight shorter (2.97 Å) and four longer (3.36 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to four equivalent Ir and eight Ge atoms to form face-sharing ErGe8Ir4 cuboctahedra. All Er–Ir bond lengths are 3.12 Å. There are a spread of Er–Ge bond distances ranging from 2.93–3.08 Å. In the third Er site, Er is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Er–Ir bond lengths are 3.33 Å. There are a spread of Er–Ge bond distances ranging from 3.27–3.39 Å. Ir is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Er, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Er, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.87 Å.

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Materials Data on Ho5(Ge5Os2)2 by Materials Project

Ho5(Os2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Os and twelve Ge atoms. All Ho–Os bond lengths are 3.27 Å. There are eight shorter (2.98 Å) and four longer (3.38 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to four equivalent Os and eight Ge atoms to form distorted face-sharing HoGe8Os4 cuboctahedra. All Ho–Os bond lengths are 3.12 Å. There are a spread of Ho–Ge bond distances ranging from 2.88–3.11 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Os and ten Ge atoms. All Ho–Os bond lengths are 3.30 Å. There are a spread of Ho–Ge bond distances ranging from 3.29–3.39 Å. Os is bonded in a 10-coordinate geometry to five Ho and five Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.44–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho, two equivalent Os, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu5(Ge5Rh2)2 by Materials Project

Lu5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Lu–Rh bond lengths are 3.23 Å. There are eight shorter (2.92 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Rh and eight Ge atoms to form face-sharing LuGe8Rh4 cuboctahedra. All Lu–Rh bond lengths are 3.08 Å. There are a spread of Lu–Ge bond distances ranging from 2.91–3.11 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Lu–Rh bond lengths are 3.29 Å. There are a spread of Lu–Ge bond distances ranging from 3.21–3.41 Å. Rh is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGe5 by Materials Project

MgGe5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten Ge atoms to form distorted MgMg2Ge10 cuboctahedra that share corners with six equivalent MgMg2Ge10 cuboctahedra, edges with eight equivalent GeGe12 cuboctahedra, faces with four equivalent MgMg2Ge10 cuboctahedra, and faces with eight GeMg2Ge10 cuboctahedra. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ge bond distances ranging from 2.97–3.09 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Mg and four Ge atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to two equivalent Mg and ten Ge atoms to form distorted GeMg2Ge10 cuboctahedra that share corners with twelve GeMg2Ge10 cuboctahedra, edges with three equivalent GeGe12 cuboctahedra, faces with six equivalent MgMg2Ge10 cuboctahedra, and faces with six GeMg2Ge10 cuboctahedra. There are a spread of Ge–Ge bond distances ranging from 2.95–3.01 Å. In the third Ge site, Ge is bonded to twelve Ge atoms to form GeGe12 cuboctahedra that share corners with twelve GeMg2Ge10 cuboctahedra, edges with three equivalent GeMg2Ge10 cuboctahedra, edges with eight equivalent MgMg2Ge10 cuboctahedra, faces with two equivalent MgMg2Ge10 cuboctahedra, and faces with six GeMg2Ge10 cuboctahedra. There are a spread of Ge–Ge bond distances ranging from 2.96–3.08 Å. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 12-coordinate geometry to two equivalent Mg and six Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on TbGePd by Materials Project

TbPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. All Tb–Pd bond lengths are 3.13 Å. There are four shorter (3.12 Å) and two longer (3.22 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Tb–Pd bond distances ranging from 2.98–3.22 Å. There are a spread of Tb–Ge bond distances ranging from 3.06–3.28 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.22 Å) and four longer (3.27 Å) Tb–Pd bond lengths. There are two shorter (3.02 Å) and four longer (3.03 Å) Tb–Ge bond lengths. In the fourth Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Tb–Pd bond distances ranging from 3.06–3.17 Å. There are a spread of Tb–Ge bond distances ranging from 3.09–3.22 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Tb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.77 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Tb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.96 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Tb, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.04 Å. There are two shorter (2.57 Å) and one longer (2.58 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Tb, three Pd, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Tb and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Tb and four Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on YGePd by Materials Project

YPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are four shorter (3.13 Å) and two longer (3.14 Å) Y–Pd bond lengths. There are four shorter (3.11 Å) and two longer (3.22 Å) Y–Ge bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Y–Pd bond distances ranging from 2.98–3.23 Å. There are a spread of Y–Ge bond distances ranging from 3.04–3.29 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.23 Å) and four longer (3.27 Å) Y–Pd bond lengths. There are two shorter (3.01 Å) and four longer (3.03 Å) Y–Ge bond lengths. In the fourth Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Y–Pd bond distances ranging from 3.06–3.16 Å. There are a spread of Y–Ge bond distances ranging from 3.10–3.25 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Y and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.77 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Y and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.94 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Y, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.05 Å. There are two shorter (2.56 Å) and one longer (2.59 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Y, three Pd, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Y and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Y and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5(Ge5Rh2)2 by Materials Project

Yb5Rh4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Yb–Rh bond lengths are 3.24 Å. There are eight shorter (2.98 Å) and four longer (3.31 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Rh and eight Ge atoms to form face-sharing YbGe8Rh4 cuboctahedra. All Yb–Rh bond lengths are 3.09 Å. There are a spread of Yb–Ge bond distances ranging from 2.98–3.14 Å. In the third Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Rh and ten Ge atoms. All Yb–Rh bond lengths are 3.37 Å. There are a spread of Yb–Ge bond distances ranging from 3.23–3.37 Å. Rh is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–2.56 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.41 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Yb, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Yb, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
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Materials Data on ErGePd by Materials Project

ErPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. All Er–Pd bond lengths are 3.11 Å. There are four shorter (3.07 Å) and two longer (3.21 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Er–Pd bond distances ranging from 2.95–3.19 Å. There are a spread of Er–Ge bond distances ranging from 3.02–3.28 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.19 Å) and four longer (3.24 Å) Er–Pd bond lengths. There are two shorter (2.98 Å) and four longer (3.01 Å) Er–Ge bond lengths. In the fourth Er site, Er is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Er–Pd bond distances ranging from 3.04–3.14 Å. There are a spread of Er–Ge bond distances ranging from 3.07–3.21 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.74 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.92 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Er, one Pd, and three Ge atoms. The Pd–Pd bond length is 2.99 Å. There are two shorter (2.54 Å) and one longer (2.57 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Er, three Pd, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Er and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Er and four Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LuGePd by Materials Project

LuPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.10 Å) and four longer (3.11 Å) Lu–Pd bond lengths. There are four shorter (3.04 Å) and two longer (3.21 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Lu–Pd bond distances ranging from 2.92–3.19 Å. There are a spread of Lu–Ge bond distances ranging from 3.01–3.29 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.19 Å) and four longer (3.23 Å) Lu–Pd bond lengths. There are two shorter (2.96 Å) and four longer (2.99 Å) Lu–Ge bond lengths. In the fourth Lu site, Lu is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Lu–Pd bond distances ranging from 3.03–3.10 Å. There are a spread of Lu–Ge bond distances ranging from 3.06–3.26 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.73 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.89 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Lu, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.00 Å. There are two shorter (2.54 Å) and one longer (2.56 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three Pd, 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 Lu and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Lu and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5(Co2Ge5)2 by Materials Project

Yb5Co4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Co and twelve Ge atoms. All Yb–Co bond lengths are 3.15 Å. There are eight shorter (2.96 Å) and four longer (3.13 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Co and eight Ge atoms to form distorted face-sharing YbCo4Ge8 cuboctahedra. All Yb–Co bond lengths are 3.05 Å. There are a spread of Yb–Ge bond distances ranging from 2.87–3.04 Å. In the third Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Yb–Co bond lengths are 3.28 Å. There are a spread of Yb–Ge bond distances ranging from 3.15–3.34 Å. Co is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.35–2.46 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Yb, two equivalent Co, and three Ge atoms. There are one shorter (2.80 Å) and two longer (2.94 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Yb, two equivalent Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy5(Ge5Ir2)2 by Materials Project

Dy5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Dy–Ir bond lengths are 3.22 Å. There are eight shorter (2.99 Å) and four longer (3.36 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded to four equivalent Ir and eight Ge atoms to form face-sharing DyGe8Ir4 cuboctahedra. All Dy–Ir bond lengths are 3.13 Å. There are a spread of Dy–Ge bond distances ranging from 2.94–3.09 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Dy–Ir bond lengths are 3.34 Å. There are a spread of Dy–Ge bond distances ranging from 3.29–3.38 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 2.47–2.58 Å. There are three inequivalent Ge sites. In the first 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 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Dy, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Dy, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiFe6Ge5 by Materials Project

LiFe6Ge5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to six Fe and eight Ge atoms. There are a spread of Li–Fe bond distances ranging from 3.06–3.10 Å. There are a spread of Li–Ge bond distances ranging from 2.53–2.92 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Li, four Fe, and six Ge atoms to form a mixture of distorted edge, face, and corner-sharing FeLi2Fe4Ge6 cuboctahedra. All Fe–Fe bond lengths are 2.50 Å. There are a spread of Fe–Ge bond distances ranging from 2.46–2.61 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.49–2.53 Å. In the third Fe site, Fe is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.48–2.53 Å. In the fourth Fe site, Fe is bonded to two equivalent Li, four equivalent Fe, and six Ge atoms to form a mixture of distorted edge, face, and corner-sharing FeLi2Fe4Ge6 cuboctahedra. There are a spread of Fe–Ge bond distances ranging from 2.46–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six Fe atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li and nine Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six Fe atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six Fe atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Fe, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗