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DOE OSTI2020

Materials Data on Y2Ge5Ir3 by Materials Project

Y2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Y–Ir bond distances ranging from 3.13–3.57 Å. There are a spread of Y–Ge bond distances ranging from 2.97–3.37 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Y and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.64 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Y and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to four equivalent Y, three Ir, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Ir atoms.

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Materials Data on Ge5Ir4 by Materials Project

Ir4Ge5 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.68 Å. In the second Ir site, Ir is bonded to six Ge atoms to form distorted corner-sharing IrGe6 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are four shorter (2.48 Å) and two longer (2.60 Å) Ir–Ge bond lengths. In the third Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Ir–Ge bond lengths are 2.47 Å. In the fourth Ir site, Ir is bonded to six Ge atoms to form a mixture of distorted edge and corner-sharing IrGe6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Ir–Ge bond distances ranging from 2.45–2.56 Å. In the fifth Ir site, Ir is bonded to six Ge atoms to form a mixture of distorted edge and corner-sharing IrGe6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Ir–Ge bond distances ranging from 2.42–2.60 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Ir atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five Ir atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Ir atoms.

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Materials Data on Pr2Co3Ge5 by Materials Project

Pr2Co3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Co and ten Ge atoms. There are a spread of Pr–Co bond distances ranging from 3.13–3.44 Å. There are a spread of Pr–Ge bond distances ranging from 2.95–3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Co–Ge bond lengths are 2.44 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Co, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Co atoms.

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Materials Data on Fe13Ge3 by Materials Project

Fe13Ge3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to five Fe and three Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.50 Å. All Fe–Ge bond lengths are 2.49 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. Both Fe–Fe bond lengths are 2.86 Å. All Fe–Ge bond lengths are 2.87 Å. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. All Fe–Fe bond lengths are 2.87 Å. In the fourth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the fifth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the sixth Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six Ge atoms. There are two shorter (2.86 Å) and four longer (2.87 Å) Fe–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 fourteen Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.

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Materials Data on Sm2AlGe3 by Materials Project

Sm2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Sm–Al bond lengths are 3.43 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.35 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to three equivalent Al and seven Ge atoms. There are one shorter (3.30 Å) and two longer (3.39 Å) Sm–Al bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.03–3.13 Å. Al is bonded to five Sm and four Ge atoms to form distorted face-sharing AlSm5Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.58–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four Sm and three equivalent Al atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, one Al, and two equivalent Ge atoms.

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Materials Data on Li2ZnGe by Materials Project

Li2ZnGe crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four Ge atoms. There are one shorter (2.76 Å) and three longer (2.84 Å) Li–Li bond lengths. All Li–Zn bond lengths are 2.81 Å. There are one shorter (2.74 Å) and three longer (2.85 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four equivalent Ge atoms. All Li–Li bond lengths are 2.86 Å. All Li–Zn bond lengths are 2.88 Å. There are one shorter (2.78 Å) and three longer (2.84 Å) Li–Ge bond lengths. In the third Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four equivalent Ge atoms. There are one shorter (2.75 Å) and three longer (2.84 Å) Li–Li bond lengths. All Li–Zn bond lengths are 2.81 Å. There are one shorter (2.75 Å) and three longer (2.84 Å) Li–Ge bond lengths. In the fourth Li site, Li is bonded in a 11-coordinate geometry to four Li, three equivalent Zn, and four Ge atoms. All Li–Zn bond lengths are 2.88 Å. There are one shorter (2.76 Å) and three longer (2.84 Å) Li–Ge bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to six Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to six Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to eight Li and three equivalent Zn atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to eight Li and three equivalent Zn atoms.

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Materials Data on Ba4Ag3Ge20 by Materials Project

Ba4Ag3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to four equivalent Ag and eight equivalent Ge atoms. All Ba–Ag bond lengths are 3.90 Å. All Ba–Ge bond lengths are 3.70 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.49 Å) and twelve longer (3.62 Å) Ba–Ge bond lengths. Ag is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing AgBa4Ge4 tetrahedra. All Ag–Ge bond lengths are 2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Ba, one Ag, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. The Ge–Ge bond length is 2.56 Å.

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Materials Data on Hf4NbGe4 by Materials Project

Hf4NbGe4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.64–2.82 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.79–3.11 Å. Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.69–2.88 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to seven Hf and one Nb atom. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Hf, two equivalent Nb, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Hf, two equivalent Nb, and one Ge atom.

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Materials Data on Tb2AlGe3 by Materials Project

Tb2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Tb–Al bond lengths are 3.37 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.35 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.07 Å. Al is bonded to two equivalent Tb and four Ge atoms to form distorted AlTb2Ge4 tetrahedra that share corners with two equivalent GeTb4Al3 pentagonal bipyramids and edges with four equivalent AlTb2Ge4 tetrahedra. There are three shorter (2.57 Å) and one longer (2.69 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Tb and three equivalent Al atoms to form distorted GeTb4Al3 pentagonal bipyramids that share corners with two equivalent AlTb2Ge4 tetrahedra and edges with six equivalent GeTb4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, one Al, and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms.

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Materials Data on Ge8Pd21 by Materials Project

Ge8Pd21 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.79 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.96 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.64 Å. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to three Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.58 Å. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.53–2.84 Å. In the sixth Pd site, Pd is bonded in a distorted tetrahedral geometry to four equivalent Ge atoms. All Pd–Ge bond lengths are 2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms.

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Materials Data on Y2Ge5Ru3 by Materials Project

Y2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Y–Ru bond distances ranging from 3.20–3.49 Å. There are a spread of Y–Ge bond distances ranging from 2.98–3.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Y and six Ge atoms. There are four shorter (2.52 Å) and two longer (2.60 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Y and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.42–2.52 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Y, three Ru, and four Ge atoms. There are two shorter (2.72 Å) and two longer (2.90 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Y, three Ru, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Y and four equivalent Ru atoms.

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Materials Data on La2Ge5Ir3 by Materials Project

La2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of La–Ir bond distances ranging from 3.22–3.56 Å. There are a spread of La–Ge bond distances ranging from 3.06–3.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent La and six Ge atoms. There are four shorter (2.56 Å) and two longer (2.76 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent La 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 2-coordinate geometry to four equivalent La, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, three Ir, and two equivalent Ge atoms.

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Materials Data on Er5Al3Ni3Ge4 by Materials Project

Er5Ni3Al3Ge4 crystallizes in the orthorhombic Pmmn 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 Ni, four Al, and four Ge atoms. There are a spread of Er–Ni bond distances ranging from 2.87–3.00 Å. There are two shorter (3.22 Å) and two longer (3.25 Å) Er–Al bond lengths. There are two shorter (2.90 Å) and two longer (2.95 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent Al, and five Ge atoms. There are one shorter (2.94 Å) and two longer (3.21 Å) Er–Ni bond lengths. Both Er–Al bond lengths are 3.17 Å. There are a spread of Er–Ge bond distances ranging from 2.90–2.97 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to one Ni, six Al, and four equivalent Ge atoms. The Er–Ni bond length is 2.80 Å. There are two shorter (3.21 Å) and four longer (3.22 Å) Er–Al bond lengths. All Er–Ge bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.43–2.54 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to three Er and six Al atoms. There are four shorter (2.60 Å) and two longer (2.63 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Er, two equivalent Ni, two Al, and two Ge atoms to form a mixture of distorted face and edge-sharing AlEr6Al2Ni2Ge2 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.73 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.77 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to six Er, two equivalent Ni, two equivalent Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.67 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, one Ni, and two Al atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Er, three equivalent Ni, and one Al atom.

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Materials Data on K4In3Ge20 by Materials Project

K4In3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to four equivalent In and eight equivalent Ge atoms. All K–In bond lengths are 3.95 Å. All K–Ge bond lengths are 3.80 Å. In the second K site, K is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.55 Å) and twelve longer (3.58 Å) K–Ge bond lengths. In is bonded to four equivalent K and four equivalent Ge atoms to form a mixture of edge and corner-sharing InK4Ge4 tetrahedra. All In–Ge bond lengths are 2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one K and four Ge atoms. There are three shorter (2.54 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three K, one In, and three Ge atoms. The Ge–Ge bond length is 2.56 Å.

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Materials Data on Ba4Cu3Ge20 by Materials Project

Ba4Cu3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.60 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.43 Å) and twelve longer (3.66 Å) Ba–Ge bond lengths. Cu is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Cu, and three Ge atoms. There are two shorter (2.55 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. The Ge–Ge bond length is 2.51 Å.

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Materials Data on Hf2Nb3Ge4 by Materials Project

Hf2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.77–2.98 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.59–2.76 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–Ge bond distances ranging from 2.65–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Hf, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Hf, six Nb, and one Ge atom.

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Materials Data on Mn14Al56Ge3 by Materials Project

Mn14Al56Ge3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.39–2.85 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to eleven Al atoms. There are a spread of Mn–Al bond distances ranging from 2.37–3.17 Å. In the third Mn site, Mn is bonded in a 10-coordinate geometry to nine Al and one Ge atom. There are a spread of Mn–Al bond distances ranging from 2.42–2.53 Å. The Mn–Ge bond length is 2.84 Å. There are ten inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to two Mn, three Al, and one Ge atom. There are a spread of Al–Al bond distances ranging from 2.74–2.89 Å. The Al–Ge bond length is 2.73 Å. In the second Al site, Al is bonded in a distorted single-bond geometry to three equivalent Mn, three equivalent Al, and one Ge atom. All Al–Al bond lengths are 2.65 Å. The Al–Ge bond length is 2.64 Å. In the third Al site, Al is bonded in a distorted linear geometry to two Mn and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–3.03 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to three Mn and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.93 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mn and two equivalent Al atoms. There are one shorter (2.91 Å) and one longer (2.93 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two Mn and three Al atoms. The Al–Al bond length is 2.81 Å. In the seventh Al site, Al is bonded in a 4-coordinate geometry to three Mn, seven Al, and one Ge atom. There are one shorter (2.67 Å) and one longer (2.79 Å) Al–Al bond lengths. The Al–Ge bond length is 2.97 Å. In the eighth Al site, Al is bonded in a 10-coordinate geometry to three equivalent Mn and seven Al atoms. Both Al–Al bond lengths are 2.58 Å. In the ninth Al site, Al is bonded in a 1-coordinate geometry to three Mn, one Al, and one Ge atom. The Al–Ge bond length is 2.65 Å. In the tenth Al site, Al is bonded in a 10-coordinate geometry to two Mn, four Al, and one Ge atom. The Al–Ge bond length is 2.74 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight Al atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to one Mn and nine Al atoms.

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Materials Data on Hf5Ge4 by Materials Project

Hf5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded to seven Ge atoms to form distorted HfGe7 pentagonal bipyramids that share corners with four equivalent HfGe6 octahedra, corners with six equivalent HfGe7 pentagonal bipyramids, edges with two equivalent HfGe7 pentagonal bipyramids, faces with two equivalent HfGe6 octahedra, and faces with three equivalent HfGe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of Hf–Ge bond distances ranging from 2.79–3.15 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.66–2.82 Å. In the third Hf site, Hf is bonded to six Ge atoms to form distorted HfGe6 octahedra that share corners with four equivalent HfGe6 octahedra, corners with eight equivalent HfGe7 pentagonal bipyramids, and faces with four equivalent HfGe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Hf–Ge bond distances ranging from 2.69–2.93 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Hf and one Ge atom. The Ge–Ge bond length is 2.65 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Hf atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Hf and one Ge atom.

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