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DOE OSTI2020

Materials Data on Yb2AlGe3 by Materials Project

Yb2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to three equivalent Al and seven Ge atoms. There are one shorter (3.31 Å) and two longer (3.34 Å) Yb–Al bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.04–3.21 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.23 Å. Al is bonded to three equivalent Yb and four Ge atoms to form distorted AlYb3Ge4 tetrahedra that share corners with seven equivalent GeYb4Al3 pentagonal bipyramids, an edgeedge with one GeYb4Al3 pentagonal bipyramid, edges with two equivalent AlYb3Ge4 tetrahedra, and faces with two equivalent AlYb3Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.58–2.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Yb and three equivalent Al atoms to form distorted GeYb4Al3 pentagonal bipyramids that share corners with seven equivalent AlYb3Ge4 tetrahedra, edges with six equivalent GeYb4Al3 pentagonal bipyramids, and an edgeedge with one AlYb3Ge4 tetrahedra. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, one Al, and two equivalent Ge atoms.

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Materials Data on Pr2Ge5Rh3 by Materials Project

Pr2Rh3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Rh and ten Ge atoms. There are a spread of Pr–Rh bond distances ranging from 3.22–3.58 Å. There are a spread of Pr–Ge bond distances ranging from 3.04–3.34 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.55 Å) and two longer (2.70 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Rh atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Rh, and two equivalent Ge atoms.

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Materials Data on Sm2Ge5Ir3 by Materials Project

Sm2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Sm–Ir bond distances ranging from 3.16–3.56 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.37 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Sm and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.41–2.54 Å. In the second Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.67 Å) Ir–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sm, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Ir, and two equivalent Ge atoms.

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Materials Data on Eu2ZnGe3 by Materials Project

Eu2ZnGe3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Zn and ten Ge atoms. There are one shorter (3.19 Å) and one longer (3.57 Å) Eu–Zn bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.12–3.53 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Zn and eight Ge atoms. Both Eu–Zn bond lengths are 3.15 Å. There are a spread of Eu–Ge bond distances ranging from 3.13–3.52 Å. Zn is bonded in a 3-coordinate geometry to four Eu and three Ge atoms. There are two shorter (2.46 Å) and one longer (2.48 Å) Zn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two Ge atoms. The Ge–Ge bond length is 2.52 Å.

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Materials Data on K3Ge7HO20 by Materials Project

(K3Ge7HO19)2O2 crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three water molecules and one K3Ge7HO19 framework. In the K3Ge7HO19 framework, K is bonded in a 6-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.88–3.41 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form corner-sharing GeO6 octahedra. There is three shorter (1.85 Å) and three longer (2.04 Å) Ge–O bond length. In the third Ge site, Ge is bonded in a 7-coordinate geometry to one H and six O atoms. The Ge–H bond length is 1.99 Å. There are a spread of Ge–O bond distances ranging from 1.80–2.24 Å. H is bonded in a single-bond geometry to three equivalent Ge and one O atom. The H–O bond length is 0.98 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent K atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two Ge atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent K and two Ge atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two Ge atoms. In the fifth O site, O is bonded in a single-bond geometry to three equivalent Ge and one H atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Ge atoms.

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Materials Data on CaLa(GeIr)4 by Materials Project

CaLa(IrGe)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Ca–Ir bond lengths are 3.38 Å. All Ca–Ge bond lengths are 3.25 Å. La is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All La–Ir bond lengths are 3.38 Å. All La–Ge bond lengths are 3.27 Å. Ir is bonded to two equivalent Ca, two equivalent La, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing IrCa2La2Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.68 Å.

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Materials Data on Gd5Ge4 by Materials Project

Gd5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Gd–Ge bond distances ranging from 3.01–3.64 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Gd–Ge bond distances ranging from 2.90–3.10 Å. In the third Gd site, Gd is bonded to six Ge atoms to form corner-sharing GdGe6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Gd–Ge bond distances ranging from 3.01–3.19 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Gd and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Gd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Gd and one Ge atom.

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Materials Data on Sm2Ge2Rh by Materials Project

Sm2RhGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to four equivalent Rh and seven Ge atoms. There are a spread of Sm–Rh bond distances ranging from 3.08–3.36 Å. There are a spread of Sm–Ge bond distances ranging from 3.06–3.36 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to two equivalent Rh and six Ge atoms. Both Sm–Rh bond lengths are 3.11 Å. There are a spread of Sm–Ge bond distances ranging from 3.09–3.17 Å. Rh is bonded in a 10-coordinate geometry to six Sm and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.54–2.74 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.86 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm, one Rh, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

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Materials Data on Nd2Co3Ge5 by Materials Project

Nd2Co3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to six Ge atoms. There are a spread of Nd–Ge bond distances ranging from 2.93–3.26 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.34–2.43 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.43 Å) and two longer (2.75 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Co and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, three Co, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Co atoms.

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Materials Data on Ni11(GeSe2)2 by Materials Project

Ni11(GeSe2)2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Ni11(GeSe2)2 sheet oriented in the (0, 0, 1) direction. there are seven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to eight Ni, two equivalent Ge, and two equivalent Se atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.65 Å. Both Ni–Ge bond lengths are 2.51 Å. Both Ni–Se bond lengths are 2.43 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Ni, two equivalent Ge, and two equivalent Se atoms. Both Ni–Ni bond lengths are 2.53 Å. Both Ni–Ge bond lengths are 2.53 Å. Both Ni–Se bond lengths are 2.34 Å. In the third Ni site, Ni is bonded in a distorted water-like geometry to two equivalent Ni, two equivalent Ge, and two equivalent Se atoms. Both Ni–Ni bond lengths are 2.53 Å. Both Ni–Ge bond lengths are 2.54 Å. Both Ni–Se bond lengths are 2.34 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Ni, two equivalent Ge, and two equivalent Se atoms. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Ge bond lengths are 2.53 Å. Both Ni–Se bond lengths are 2.34 Å. In the fifth Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent NiNi8Ge4 cuboctahedra, edges with four equivalent NiNi4Se5 square pyramids, faces with four equivalent NiNi8Ge4 cuboctahedra, and faces with four equivalent GeNi12 cuboctahedra. All Ni–Ge bond lengths are 2.56 Å. In the sixth Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent NiNi8Ge4 cuboctahedra, faces with four equivalent NiNi8Ge4 cuboctahedra, and faces with four equivalent GeNi12 cuboctahedra. All Ni–Ge bond lengths are 2.56 Å. In the seventh Ni site, Ni is bonded to four equivalent Ni and five Se atoms to form distorted NiNi4Se5 square pyramids that share corners with four equivalent GeNi12 cuboctahedra, corners with four equivalent NiNi4Se5 square pyramids, edges with four equivalent NiNi8Ge4 cuboctahedra, a faceface with one GeNi12 cuboctahedra, and faces with four equivalent NiNi4Se5 square pyramids. There are one shorter (2.29 Å) and four longer (2.58 Å) Ni–Se bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to twelve Ni atoms to form GeNi12 cuboctahedra that share corners with four equivalent GeNi12 cuboctahedra, faces with four equivalent NiNi8Ge4 cuboctahedra, and faces with four equivalent GeNi12 cuboctahedra. In the second Ge site, Ge is bonded to twelve Ni atoms to form GeNi12 cuboctahedra that share corners with four equivalent GeNi12 cuboctahedra, corners with four equivalent NiNi4Se5 square pyramids, faces with four equivalent NiNi8Ge4 cuboctahedra, faces with four equivalent GeNi12 cuboctahedra, and a faceface with one NiNi4Se5 square pyramid. There are four inequivalent Se sites. In the first Se site, Se is bonded in a 8-coordinate geometry to eight Ni atoms. In the second Se site, Se is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the third Se site, Se is bonded in a 5-coordinate geometry to five Ni atoms. In the fourth Se site, Se is bonded in a 4-coordinate geometry to four equivalent Ni atoms.

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Materials Data on Lu5Ge4 by Materials Project

Lu5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.82–2.98 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.92–3.56 Å. In the third Lu site, Lu is bonded to six Ge atoms to form corner-sharing LuGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Lu–Ge bond distances ranging from 2.88–3.02 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Lu and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to eight Lu atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Lu and one Ge atom.

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Materials Data on U2Ta3Ge4 by Materials Project

U2Ta3Ge4 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of U–Ge bond distances ranging from 2.74–2.94 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.63–3.17 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.71–2.96 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U, six Ta, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent U and four Ta atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ta, and one Ge atom.

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Materials Data on K4Hg3Ge20 by Materials Project

K4Hg3Ge20 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 Hg and eight equivalent Ge atoms. All K–Hg bond lengths are 3.93 Å. All K–Ge bond lengths are 3.76 Å. In the second K site, K is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.52 Å) and twelve longer (3.58 Å) K–Ge bond lengths. Hg is bonded to four equivalent K and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing HgK4Ge4 tetrahedra. All Hg–Ge bond lengths are 2.68 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 7-coordinate geometry to three K, one Hg, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.

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Materials Data on Lu2CoGe2 by Materials Project

Lu2CoGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to two equivalent Co and six Ge atoms. Both Lu–Co bond lengths are 3.10 Å. There are a spread of Lu–Ge bond distances ranging from 2.85–3.02 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to four equivalent Co and seven Ge atoms. There are a spread of Lu–Co bond distances ranging from 2.99–3.03 Å. There are a spread of Lu–Ge bond distances ranging from 2.87–3.17 Å. Co is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.37–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu, one Co, and one Ge atom. The Ge–Ge bond length is 2.65 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.74 Å.

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Materials Data on Ho2AlGe3 by Materials Project

Ho2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Ho–Al bond lengths are 3.32 Å. There are a spread of Ho–Ge bond distances ranging from 2.97–3.33 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.94–3.05 Å. Al is bonded to two equivalent Ho and four Ge atoms to form distorted AlHo2Ge4 tetrahedra that share corners with two equivalent GeHo4Al3 pentagonal bipyramids and edges with four equivalent AlHo2Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.55–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Ho and three equivalent Al atoms to form distorted GeHo4Al3 pentagonal bipyramids that share corners with two equivalent AlHo2Ge4 tetrahedra and edges with six equivalent GeHo4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ho and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, one Al, and two equivalent Ge atoms.

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Materials Data on Tb2Ge5Ir3 by Materials Project

Tb2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Tb–Ir bond distances ranging from 3.13–3.54 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Tb and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.66 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Tb 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 8-coordinate geometry to four equivalent Tb and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.68 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, three Ir, and two equivalent Ge atoms.

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Materials Data on Er2AlGe3 by Materials Project

Er2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Er–Al bond lengths are 3.31 Å. There are a spread of Er–Ge bond distances ranging from 2.96–3.33 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.93–3.04 Å. Al is bonded to two equivalent Er and four Ge atoms to form distorted AlEr2Ge4 tetrahedra that share corners with two equivalent GeEr4Al3 pentagonal bipyramids and edges with four equivalent AlEr2Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.55–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Er and three equivalent Al atoms to form distorted GeEr4Al3 pentagonal bipyramids that share corners with two equivalent AlEr2Ge4 tetrahedra and edges with six equivalent GeEr4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. There are one shorter (2.57 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, one Al, and two equivalent Ge atoms.

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Materials Data on Ge19(AsBr)4 by Materials Project

Ge19As4(Br)4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of eight hydrobromic acid molecules and one Ge19As4 framework. In the Ge19As4 framework, there are three inequivalent Ge sites. In the first Ge site, Ge is bonded to three equivalent Ge and one As atom to form GeGe3As tetrahedra that share corners with three equivalent AsGe4 tetrahedra and corners with nine GeGe4 tetrahedra. All Ge–Ge bond lengths are 2.47 Å. The Ge–As bond length is 2.48 Å. In the second Ge site, Ge is bonded to three Ge and one As atom to form GeGe3As tetrahedra that share corners with two equivalent AsGe4 tetrahedra and corners with ten GeGe3As tetrahedra. There are one shorter (2.49 Å) and one longer (2.51 Å) Ge–Ge bond lengths. The Ge–As bond length is 2.51 Å. In the third Ge site, Ge is bonded to four equivalent Ge atoms to form GeGe4 tetrahedra that share corners with four equivalent AsGe4 tetrahedra and corners with eight GeGe3As tetrahedra. As is bonded to four Ge atoms to form AsGe4 tetrahedra that share corners with twelve GeGe3As tetrahedra.

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