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DOE OSTI2020

Materials Data on Mn4Cr(Co2Ge)5 by Materials Project

CrMn4(Co2Ge)5 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight Co and six equivalent Ge atoms. There are two shorter (2.47 Å) and six longer (2.48 Å) Cr–Co bond lengths. All Cr–Ge bond lengths are 2.86 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and six Ge atoms. There are a spread of Mn–Co bond distances ranging from 2.46–2.49 Å. There are three shorter (2.86 Å) and three longer (2.88 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and six Ge atoms. There are two shorter (2.47 Å) and six longer (2.49 Å) Mn–Co bond lengths. All Mn–Ge bond lengths are 2.86 Å. There are nine inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Ge atoms. All Co–Cr bond lengths are 2.48 Å. The Co–Mn bond length is 2.49 Å. There are one shorter (2.44 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to one Cr, three equivalent Mn, and four Ge atoms. There are one shorter (2.46 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are one shorter (2.46 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the fourth Co site, Co is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are one shorter (2.46 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the fifth Co site, Co is bonded in a body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Ge atoms. There are one shorter (2.44 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the sixth Co site, Co is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are one shorter (2.48 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the seventh Co site, Co is bonded in a body-centered cubic geometry to three equivalent Cr, one Mn, and four equivalent Ge atoms. The Co–Mn bond length is 2.49 Å. There are one shorter (2.44 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the eighth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are one shorter (2.46 Å) and three longer (2.49 Å) Co–Ge bond lengths. In the ninth Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are one shorter (2.47 Å) and three longer (2.49 Å) Co–Mn bond lengths. There are one shorter (2.46 Å) and three longer (2.49 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to three equivalent Cr, three equivalent Mn, and eight Co atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiGeMo by Materials Project

MoNiGe is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to four Mo, five Ni, and seven Ge atoms. There are a spread of Mo–Mo bond distances ranging from 2.80–3.11 Å. There are a spread of Mo–Ni bond distances ranging from 2.75–2.95 Å. There are a spread of Mo–Ge bond distances ranging from 2.79–3.00 Å. In the second Mo site, Mo is bonded in a 9-coordinate geometry to four Mo, seven Ni, and five Ge atoms. There are one shorter (2.83 Å) and two longer (3.11 Å) Mo–Mo bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.75–2.99 Å. There are a spread of Mo–Ge bond distances ranging from 2.70–2.93 Å. In the third Mo site, Mo is bonded in a 9-coordinate geometry to four Mo, seven Ni, and five Ge atoms. There are one shorter (2.80 Å) and two longer (3.11 Å) Mo–Mo bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.75–2.99 Å. There are a spread of Mo–Ge bond distances ranging from 2.70–2.93 Å. In the fourth Mo site, Mo is bonded in a 5-coordinate geometry to four Mo, five Ni, and seven Ge atoms. Both Mo–Mo bond lengths are 3.11 Å. There are a spread of Mo–Ni bond distances ranging from 2.75–2.95 Å. There are a spread of Mo–Ge bond distances ranging from 2.79–3.00 Å. In the fifth Mo site, Mo is bonded in a 5-coordinate geometry to four Mo, five Ni, and seven Ge atoms. There are one shorter (2.80 Å) and one longer (3.01 Å) Mo–Mo bond lengths. There are a spread of Mo–Ni bond distances ranging from 2.75–2.95 Å. There are a spread of Mo–Ge bond distances ranging from 2.79–3.00 Å. In the sixth Mo site, Mo is bonded in a 9-coordinate geometry to four Mo, seven Ni, and five Ge atoms. The Mo–Mo bond length is 2.83 Å. There are a spread of Mo–Ni bond distances ranging from 2.75–2.99 Å. There are a spread of Mo–Ge bond distances ranging from 2.70–2.93 Å. In the seventh Mo site, Mo is bonded in a 9-coordinate geometry to four Mo, seven Ni, and five Ge atoms. There are a spread of Mo–Ni bond distances ranging from 2.75–2.99 Å. There are a spread of Mo–Ge bond distances ranging from 2.70–2.93 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to six Mo and six Ge atoms to form distorted NiGe6Mo6 cuboctahedra that share corners with six NiGe6Mo6 cuboctahedra, edges with six NiGe6Mo6 cuboctahedra, and faces with eight equivalent GeNi2Ge4Mo6 cuboctahedra. There are four shorter (2.41 Å) and two longer (2.42 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to six Mo, four Ni, and two equivalent Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.31–2.73 Å. Both Ni–Ge bond lengths are 2.31 Å. In the third Ni site, Ni is bonded to six Mo, four equivalent Ni, and two equivalent Ge atoms to form distorted NiNi4Ge2Mo6 cuboctahedra that share corners with six NiGe6Mo6 cuboctahedra, corners with eight equivalent GeNi2Ge4Mo6 cuboctahedra, edges with six NiGe6Mo6 cuboctahedra, and faces with four equivalent GeNi2Ge4Mo6 cuboctahedra. Both Ni–Ge bond lengths are 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to six Mo, four Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the second Ge site, Ge is bonded to six Mo, two equivalent Ni, and four Ge atoms to form distorted GeNi2Ge4Mo6 cuboctahedra that share corners with four equivalent NiNi4Ge2Mo6 cuboctahedra, corners with four equivalent GeNi2Ge4Mo6 cuboctahedra, edges with two equivalent GeNi2Ge4Mo6 cuboctahedra, faces with four equivalent GeNi2Ge4Mo6 cuboctahedra, and faces with six NiGe6Mo6 cuboctahedra. There are one shorter (2.46 Å) and one longer (2.61 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Ge6Pd by Materials Project

Yb2PdGe6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Yb is bonded to two equivalent Pd and ten Ge atoms to form a mixture of distorted corner, edge, and face-sharing YbGe10Pd2 cuboctahedra. There are one shorter (3.13 Å) and one longer (3.14 Å) Yb–Pd bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.06–3.41 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.49–2.57 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Yb and two Ge atoms. There are one shorter (2.49 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Yb, one Pd, and three Ge atoms. There are one shorter (2.55 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Yb, one Pd, and three Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb, one Pd, and two Ge atoms. The Ge–Ge bond length is 2.49 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Pd, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGe by Materials Project

Ge(Li) crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four Li and eight Ge atoms. All Li–Li bond lengths are 2.87 Å. There are four shorter (2.72 Å) and four longer (2.88 Å) Li–Ge bond lengths. In the second Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six equivalent LiLi4Ge8 cuboctahedra. Both Li–Li bond lengths are 2.70 Å. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. In the third Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six LiLi4Ge8 cuboctahedra. There are two shorter (2.70 Å) and two longer (2.87 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. In the fourth Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six LiLi4Ge8 cuboctahedra. Both Li–Li bond lengths are 2.70 Å. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. In the fifth Li site, Li is bonded to four Li and eight Ge atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent LiLi4Ge8 cuboctahedra, edges with eight equivalent GeLi8Ge4 cuboctahedra, faces with two equivalent GeLi8Ge4 cuboctahedra, and faces with six LiLi4Ge8 cuboctahedra. There are two shorter (2.70 Å) and two longer (2.87 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 2.86–2.89 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded to eight Li and four Ge atoms to form distorted GeLi8Ge4 cuboctahedra that share corners with four equivalent GeLi8Ge4 cuboctahedra, edges with sixteen LiLi4Ge8 cuboctahedra, faces with four LiLi4Ge8 cuboctahedra, and faces with four equivalent GeLi8Ge4 cuboctahedra. All Ge–Ge bond lengths are 2.72 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Li bond lengths are 2.86 Å. Both Ge–Ge bond lengths are 2.72 Å. In the third Ge site, Ge is bonded in a 12-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Li bond lengths are 2.72 Å. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to eight Li and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2AlGe6 by Materials Project

Sm2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.33 Å) and one longer (3.37 Å) Sm–Al bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.09–3.40 Å. Al is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.51–2.63 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sm, one Al, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.57 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Sm and two Ge atoms. There are one shorter (2.63 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Sm, one Al, and two Ge atoms. The Ge–Ge bond length is 2.54 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Sm, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Sm, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Ge6Pd by Materials Project

Dy2PdGe6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Dy is bonded to two equivalent Pd and ten Ge atoms to form a mixture of distorted corner, edge, and face-sharing DyGe10Pd2 cuboctahedra. There are one shorter (3.17 Å) and one longer (3.18 Å) Dy–Pd bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.98–3.40 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.46–2.54 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Dy, one Pd, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.57 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Dy, one Pd, and three Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Dy, one Pd, and three Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Dy and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Dy, one Pd, and two Ge atoms. The Ge–Ge bond length is 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2AlGe6 by Materials Project

Pr2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.39 Å) and one longer (3.41 Å) Pr–Al bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.16–3.41 Å. Al is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.56–2.67 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Al, and two Ge atoms. There are one shorter (2.58 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Pr and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2AlGe6 by Materials Project

Ce2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.33 Å) and one longer (3.35 Å) Ce–Al bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.10–3.38 Å. Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.50–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ce, one Al, and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Ce and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Ce, one Al, and three Ge atoms. There are one shorter (2.50 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Ce, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Ce, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2AlGe6 by Materials Project

Gd2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.34 Å) and one longer (3.36 Å) Gd–Al bond lengths. There are a spread of Gd–Ge bond distances ranging from 3.09–3.36 Å. Al is bonded in a 5-coordinate geometry to four equivalent Gd and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.51–2.60 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Gd, one Al, and two Ge atoms. There are one shorter (2.54 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 equivalent Gd and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Gd, one Al, and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Gd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Gd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2AlGe6 by Materials Project

Tb2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.35 Å) and one longer (3.36 Å) Tb–Al bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.35 Å. Al is bonded in a 5-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.50–2.60 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tb, one Al, and two Ge atoms. There are one shorter (2.55 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 two equivalent Tb, one Al, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2AlGe6 by Materials Project

Nd2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.38 Å) and one longer (3.40 Å) Nd–Al bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.14–3.39 Å. Al is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.54–2.65 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Al, and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Nd and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.58 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCrGe by Materials Project

CrAlGe is Titanium Disilicide-derived structured and crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 10-coordinate geometry to six Al and four equivalent Ge atoms. There are two shorter (2.69 Å) and four longer (2.77 Å) Cr–Al bond lengths. All Cr–Ge bond lengths are 2.55 Å. In the second Cr site, Cr is bonded in a distorted q6 geometry to four Al and six Ge atoms. All Cr–Al bond lengths are 2.54 Å. There are two shorter (2.72 Å) and four longer (2.76 Å) Cr–Ge bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to five Cr, three Al, and two Ge atoms. There are two shorter (2.70 Å) and one longer (2.83 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.57 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to five Cr, three Al, and two equivalent Ge atoms. There are two shorter (2.70 Å) and one longer (2.83 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.57 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to five Cr, three equivalent Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to five Cr, two Al, and three Ge atoms. There are two shorter (2.73 Å) and one longer (2.78 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Cr, two Al, and three Ge atoms. Both Ge–Cr bond lengths are 2.55 Å. Both Ge–Al bond lengths are 2.57 Å. Both Ge–Ge bond lengths are 2.73 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to five Cr, two Al, and three Ge atoms. There are a spread of Ge–Cr bond distances ranging from 2.55–2.76 Å. The Ge–Al bond length is 2.57 Å. The Ge–Ge bond length is 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2CuGe6 by Materials Project

Yb2CuGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded to two equivalent Cu and ten Ge atoms to form a mixture of distorted edge, face, and corner-sharing YbCu2Ge10 cuboctahedra. There are one shorter (3.17 Å) and one longer (3.19 Å) Yb–Cu bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.00–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.43–2.52 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Yb and two Ge atoms. There are one shorter (2.52 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb, one Cu, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Cu, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba7Al4Ge9 by Materials Project

Ba7Al4Ge9 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to two equivalent Al and seven Ge atoms. Both Ba–Al bond lengths are 3.60 Å. There are a spread of Ba–Ge bond distances ranging from 3.34–3.97 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to three Al and eight Ge atoms. There are a spread of Ba–Al bond distances ranging from 3.57–3.83 Å. There are a spread of Ba–Ge bond distances ranging from 3.45–3.84 Å. In the third Ba site, Ba is bonded to four equivalent Al and eight Ge atoms to form a mixture of distorted edge and face-sharing BaAl4Ge8 cuboctahedra. There are two shorter (3.60 Å) and two longer (3.67 Å) Ba–Al bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.57–3.78 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six Ba and three Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.48–2.52 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to five Ba and four Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.50–2.62 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to seven Ba, one Al, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to six Ba, one Al, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ba, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.77 Å. In the fourth Ge site, Ge is bonded in a distorted water-like geometry to six Ba and two Al atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to five Ba, two equivalent Al, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNi3Ge2 by Materials Project

ErNi3Ge2 crystallizes in the hexagonal P6/m 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 ten Ni and six Ge atoms. There are a spread of Er–Ni bond distances ranging from 2.98–3.32 Å. There are two shorter (2.94 Å) and four longer (3.00 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to eleven Ni and six Ge atoms. There are a spread of Er–Ni bond distances ranging from 3.06–3.30 Å. There are a spread of Er–Ge bond distances ranging from 2.90–3.03 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Ge atoms. There are a spread of Er–Ni bond distances ranging from 3.07–3.39 Å. All Er–Ge bond lengths are 2.97 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to twelve equivalent Ni and six equivalent Ge atoms. All Er–Ni bond lengths are 3.20 Å. All Er–Ge bond lengths are 3.09 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded to four Er, four Ni, and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiEr4Ni4Ge4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.57–2.62 Å. There are two shorter (2.44 Å) and two longer (2.46 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three Er, five Ni, and four Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.74 Å. There are two shorter (2.37 Å) and two longer (2.47 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three Er, five Ni, and four Ge atoms. There are two shorter (2.75 Å) and two longer (2.80 Å) Ni–Ni bond lengths. There are one shorter (2.32 Å) and three longer (2.39 Å) Ni–Ge bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Er, four Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.37–2.49 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to three Er, five Ni, and four Ge atoms. The Ni–Ni bond length is 2.57 Å. There are a spread of Ni–Ge bond distances ranging from 2.34–2.45 Å. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to five Er, three Ni, and four Ge atoms. There are two shorter (2.38 Å) and two longer (2.44 Å) Ni–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Er and seven Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Er and five Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six Ni atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Ge2 by Materials Project

Mn5Ge2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. All Mn–Ge bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. Both Mn–Mn bond lengths are 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.56–2.66 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and two longer (2.56 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.66 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.55 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. The Mn–Mn bond length is 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. The Mn–Mn bond length is 2.52 Å. There are a spread of Mn–Ge bond distances ranging from 2.56–2.65 Å. In the eighth Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Mn–Mn bond lengths. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the ninth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.55 Å) Mn–Ge bond lengths. In the tenth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.57 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr6Fe13Ge by Materials Project

Pr6Fe13Ge crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.00–3.31 Å. There are one shorter (3.31 Å) and one longer (3.35 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.02–3.36 Å. There are one shorter (3.31 Å) and one longer (3.34 Å) Pr–Ge bond lengths. In the third Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.00–3.32 Å. There are one shorter (3.31 Å) and one longer (3.33 Å) Pr–Ge bond lengths. In the fourth Pr site, Pr is bonded in a 1-coordinate geometry to twelve Fe and one Ge atom. There are a spread of Pr–Fe bond distances ranging from 3.06–3.28 Å. The Pr–Ge bond length is 3.29 Å. In the fifth Pr site, Pr is bonded in a 1-coordinate geometry to twelve Fe and one Ge atom. There are a spread of Pr–Fe bond distances ranging from 3.06–3.28 Å. The Pr–Ge bond length is 3.31 Å. In the sixth Pr site, Pr is bonded in a 1-coordinate geometry to twelve Fe and one Ge atom. There are a spread of Pr–Fe bond distances ranging from 3.05–3.27 Å. The Pr–Ge bond length is 3.30 Å. In the seventh Pr site, Pr is bonded in a 1-coordinate geometry to twelve Fe and one Ge atom. There are a spread of Pr–Fe bond distances ranging from 3.06–3.28 Å. The Pr–Ge bond length is 3.30 Å. In the eighth Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.02–3.34 Å. There are one shorter (3.31 Å) and one longer (3.34 Å) Pr–Ge bond lengths. In the ninth Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 2.99–3.30 Å. Both Pr–Ge bond lengths are 3.32 Å. In the tenth Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.01–3.34 Å. There are one shorter (3.30 Å) and one longer (3.35 Å) Pr–Ge bond lengths. In the eleventh Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.01–3.35 Å. There are one shorter (3.31 Å) and one longer (3.35 Å) Pr–Ge bond lengths. In the twelfth Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two Ge atoms. There are a spread of Pr–Fe bond distances ranging from 3.00–3.33 Å. There are one shorter (3.31 Å) and one longer (3.34 Å) Pr–Ge bond lengths. There are twenty-six inequivalent Fe sites. In the first Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted face and corner-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.52–2.66 Å. In the second Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FeFe12 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.66 Å. In the third Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.66 Å. In the fourth Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.67 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.75 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.75 Å. In the seventh Fe site, Fe is bonded to five Pr and seven Fe atoms to form distorted FePr5Fe7 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with fifteen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.52–2.56 Å. In the eighth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.75 Å. In the ninth Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.65 Å. In the tenth Fe site, Fe is bonded to five Pr and seven Fe atoms to form distorted FePr5Fe7 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with fifteen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.53–2.66 Å. In the eleventh Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted face and corner-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.54–2.65 Å. In the twelfth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.76 Å. In the thirteenth Fe site, Fe is bonded to five Pr and seven Fe atoms to form distorted FePr5Fe7 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with fifteen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.53–2.66 Å. In the fourteenth Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted face and corner-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.51–2.66 Å. In the fifteenth Fe site, Fe is bonded to twelve Fe atoms to form FeFe12 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with twelve FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.55 Å. In the sixteenth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.54 Å. In the seventeenth Fe site, Fe is bonded to five Pr and seven Fe atoms to form distorted FePr5Fe7 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with fifteen FePr5Fe7 cuboctahedra. The Fe–Fe bond length is 2.64 Å. In the eighteenth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.57 Å. In the nineteenth Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted face and corner-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.52–2.56 Å. In the twentieth Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.38–2.57 Å. In the twenty-first Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are one shorter (2.40 Å) and one longer (2.50 Å) Fe–Fe bond lengths. In the twenty-second Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FeFe12 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. The Fe–Fe bond length is 2.57 Å. In the twenty-third Fe site, Fe is bonded to twelve Fe atoms to form a mixture of face and corner-sharing FeFe12 cuboctahedra. The Fe–Fe bond length is 2.45 Å. In the twenty-fourth Fe site, Fe is bonded to two Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with eight FePr2Fe10 cuboctahedra and faces with seventeen FePr5Fe7 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.56 Å) Fe–Fe bond lengths. In the twenty-fifth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. In the twenty-sixth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to ten Pr atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to ten Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbU3(CoGe)8 by Materials Project

U3Tb(CoGe)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to eight Co and eight Ge atoms. All U–Co bond lengths are 3.16 Å. There are four shorter (3.10 Å) and four longer (3.11 Å) U–Ge bond lengths. In the second U site, U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.18 Å. All U–Ge bond lengths are 3.11 Å. Tb is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Tb–Co bond lengths are 3.21 Å. All Tb–Ge bond lengths are 3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent U, two equivalent Tb, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2U2Ge4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.35 Å) Co–Ge bond lengths. In the second Co site, Co is bonded to four U and four Ge atoms to form distorted CoU4Ge4 tetrahedra that share corners with twelve CoTb2U2Ge4 tetrahedra, edges with six CoTb2U2Ge4 tetrahedra, and faces with four equivalent CoU4Ge4 tetrahedra. All Co–Ge bond lengths are 2.34 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, 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 four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom.

36 MATERIALS SCIENCE↗