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DOE OSTI2020

Materials Data on Ba4Ni3Ge20 by Materials Project

Ba4Ni3Ge20 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 distorted body-centered cubic geometry to twenty Ge atoms. There are eight shorter (3.41 Å) and twelve longer (3.72 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.56 Å. Ni is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.50 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Ni, and two equivalent Ge atoms.

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Materials Data on Ba4Ge20Pd3 by Materials Project

Ba4Pd3Ge20 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 twenty Ge atoms. There are eight shorter (3.46 Å) and twelve longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to four equivalent Pd and eight equivalent Ge atoms. All Ba–Pd bond lengths are 3.86 Å. All Ba–Ge bond lengths are 3.63 Å. Pd is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of edge and corner-sharing PdBa4Ge4 tetrahedra. All Pd–Ge bond lengths are 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.53 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Pd, and two equivalent Ge atoms.

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Materials Data on Ge3Pt2 by Materials Project

Ge3Pt2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Ge atoms to form PtGe6 octahedra that share corners with four equivalent PtGe6 octahedra, a cornercorner with one GeGePt3 tetrahedra, and edges with two equivalent PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Pt–Ge bond distances ranging from 2.52–2.58 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Pt atoms. In the second Ge site, Ge is bonded to three equivalent Pt and one Ge atom to form distorted GeGePt3 tetrahedra that share a cornercorner with one PtGe6 octahedra and corners with six equivalent GeGePt3 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four Pt and one Ge atom.

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Materials Data on Sr11(Ge2N3)2 by Materials Project

Sr11Ge4N6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 1-coordinate geometry to two equivalent Ge and three equivalent N atoms. Both Sr–Ge bond lengths are 3.29 Å. There are one shorter (2.47 Å) and two longer (2.82 Å) Sr–N bond lengths. In the second Sr site, Sr is bonded in a 2-coordinate geometry to two equivalent Ge and two equivalent N atoms. There are one shorter (3.35 Å) and one longer (3.79 Å) Sr–Ge bond lengths. Both Sr–N bond lengths are 2.62 Å. In the third Sr site, Sr is bonded in a 5-coordinate geometry to five N atoms. There are one shorter (2.45 Å) and four longer (2.93 Å) Sr–N bond lengths. In the fourth Sr site, Sr is bonded in a linear geometry to four equivalent Ge and two equivalent N atoms. All Sr–Ge bond lengths are 3.66 Å. Both Sr–N bond lengths are 2.71 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a water-like geometry to two equivalent N atoms. Both Ge–N bond lengths are 1.86 Å. In the second Ge site, Ge is bonded to twelve Sr atoms to form distorted GeSr12 cuboctahedra that share corners with four equivalent GeSr12 cuboctahedra, faces with four equivalent GeSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight equivalent Sr atoms. There are two inequivalent N sites. In the first N site, N is bonded to five Sr and one Ge atom to form a mixture of distorted edge, face, and corner-sharing NSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 32–74°. In the second N site, N is bonded to six Sr atoms to form NSr6 octahedra that share corners with nine NSr5Ge octahedra and faces with four equivalent GeSr12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–74°.

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Materials Data on ZrGeRu by Materials Project

ZrRuGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to four Ru and five Ge atoms. There are two shorter (2.98 Å) and two longer (3.20 Å) Zr–Ru bond lengths. There are a spread of Zr–Ge bond distances ranging from 2.76–2.79 Å. In the second Zr site, Zr is bonded in a 11-coordinate geometry to six Ru and five Ge atoms. There are a spread of Zr–Ru bond distances ranging from 2.90–3.00 Å. There are four shorter (2.79 Å) and one longer (2.96 Å) Zr–Ge bond lengths. In the third Zr site, Zr is bonded in a 11-coordinate geometry to six Ru and five Ge atoms. There are a spread of Zr–Ru bond distances ranging from 2.98–3.23 Å. There are a spread of Zr–Ge bond distances ranging from 2.77–2.82 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to five Zr, one Ru, and four Ge atoms. The Ru–Ru bond length is 2.90 Å. There are a spread of Ru–Ge bond distances ranging from 2.52–2.62 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to six Zr, two equivalent Ru, and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.64 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Zr and three Ru atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Zr and six Ru atoms.

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Materials Data on FeGe2 by Materials Project

FeGe2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.41–2.60 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.43–2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Fe and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.64–2.73 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Fe and five Ge atoms. There are one shorter (2.63 Å) and one longer (2.66 Å) Ge–Ge bond lengths.

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Materials Data on Th(GeRu)2 by Materials Project

Th(RuGe)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight Ru and eight Ge atoms. There are a spread of Th–Ru bond distances ranging from 3.29–3.31 Å. There are a spread of Th–Ge bond distances ranging from 3.29–3.34 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent Th and four Ge atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent Th and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.47 Å) Ru–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 Th, four Ru, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Th, four Ru, and one Ge atom.

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Materials Data on Ho11(In3Ge2)2 by Materials Project

Ho11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.43 Å) Ho–In bond lengths. There are a spread of Ho–Ge bond distances ranging from 3.06–3.21 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.07 Å) and two longer (3.33 Å) Ho–In bond lengths. All Ho–Ge bond lengths are 2.99 Å. In the third Ho site, Ho is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.27 Å) and two longer (3.44 Å) Ho–In bond lengths. There are two shorter (2.82 Å) and two longer (3.33 Å) Ho–Ge bond lengths. In the fourth Ho site, Ho is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.34 Å) and four longer (3.43 Å) Ho–In bond lengths. The Ho–Ge bond length is 3.52 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Ho and two In atoms. There are one shorter (2.93 Å) and one longer (3.05 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Ho and four In atoms. Both In–In bond lengths are 2.96 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Ho atoms.

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Materials Data on CaGe3 by Materials Project

CaGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.19 Å) and four longer (3.51 Å) Ca–Ge bond lengths. In the second Ca site, Ca is bonded in a 12-coordinate geometry to twelve Ge atoms. There are four shorter (3.15 Å) and eight longer (3.21 Å) Ca–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Ca and five Ge atoms. There are one shorter (2.61 Å) and four longer (2.79 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ca and five Ge atoms. There are one shorter (2.68 Å) and two longer (2.82 Å) Ge–Ge bond lengths.

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Materials Data on La15Ge9O by Materials Project

La15Ge9O crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded to six Ge atoms to form a mixture of distorted edge, face, and corner-sharing LaGe6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are a spread of La–Ge bond distances ranging from 3.19–3.33 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.91 Å. The La–O bond length is 2.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of La–Ge bond distances ranging from 3.14–3.33 Å. In the fourth La site, La is bonded in a distorted single-bond geometry to four Ge and one O atom. There are a spread of La–Ge bond distances ranging from 3.14–3.28 Å. The La–O bond length is 2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. O is bonded in an octahedral geometry to six La atoms.

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Materials Data on Tm(GeRh2)2 by Materials Project

Tm(Rh2Ge)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 2-coordinate geometry to eleven Rh and two equivalent Ge atoms. There are a spread of Tm–Rh bond distances ranging from 2.79–3.21 Å. Both Tm–Ge bond lengths are 3.04 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Tm and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–2.64 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to three equivalent Tm, three equivalent Rh, and three Ge atoms. There are one shorter (3.00 Å) and two longer (3.01 Å) Rh–Rh bond lengths. There are one shorter (2.49 Å) and two longer (2.55 Å) Rh–Ge bond lengths. In the third Rh site, Rh is bonded in a 1-coordinate geometry to two equivalent Tm, three equivalent Rh, and four Ge atoms. There are two shorter (2.86 Å) and one longer (2.92 Å) Rh–Rh bond lengths. There are a spread of Rh–Ge bond distances ranging from 2.40–2.66 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Tm, six Rh, and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.48–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tm and seven Rh atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Rh atoms.

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Materials Data on TaMnGe by Materials Project

TaMnGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to two equivalent Mn and four Ge atoms. There are one shorter (2.72 Å) and one longer (2.95 Å) Ta–Mn bond lengths. There are a spread of Ta–Ge bond distances ranging from 2.53–2.63 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to two equivalent Mn and four Ge atoms. Both Ta–Mn bond lengths are 2.84 Å. There are two shorter (2.59 Å) and two longer (2.64 Å) Ta–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to six Ta and five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.79–2.97 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.58–2.75 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.66–2.89 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ta and six Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ta and three Mn atoms.

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Materials Data on TiGeIr by Materials Project

TiIrGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 11-coordinate geometry to six Ir and five Ge atoms. There are a spread of Ti–Ir bond distances ranging from 2.78–2.92 Å. There are a spread of Ti–Ge bond distances ranging from 2.71–2.99 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to four Ir and six Ge atoms. There are two shorter (2.93 Å) and two longer (3.16 Å) Ti–Ir bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.61–3.20 Å. In the third Ti site, Ti is bonded in a 9-coordinate geometry to four Ir and five Ge atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Ti–Ir bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.69–2.81 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four Ti, one Ir, and four Ge atoms. The Ir–Ir bond length is 2.89 Å. There are a spread of Ir–Ge bond distances ranging from 2.52–2.54 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to six Ti, two equivalent Ir, and four Ge atoms. There are two shorter (2.50 Å) and two longer (2.55 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 six Ti and three Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Ti and six Ir atoms.

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Materials Data on Er11(In3Ge2)2 by Materials Project

Er11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.42 Å) Er–In bond lengths. There are a spread of Er–Ge bond distances ranging from 3.05–3.21 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.06 Å) and two longer (3.33 Å) Er–In bond lengths. All Er–Ge bond lengths are 2.98 Å. In the third Er site, Er is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.27 Å) and two longer (3.44 Å) Er–In bond lengths. There are two shorter (2.81 Å) and two longer (3.33 Å) Er–Ge bond lengths. In the fourth Er site, Er is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.33 Å) and four longer (3.44 Å) Er–In bond lengths. The Er–Ge bond length is 3.48 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Er and two In atoms. There are one shorter (2.93 Å) and one longer (3.04 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Er and four In atoms. Both In–In bond lengths are 2.95 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Er atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Mn3Fe3Ge2 by Materials Project

Mn3Fe3Ge2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four Mn, four Fe, and four Ge atoms to form distorted MnMn4Fe4Ge4 cuboctahedra that share corners with four equivalent GeMn6Fe6 cuboctahedra, corners with fourteen MnMn4Fe4Ge4 cuboctahedra, edges with four MnMn4Fe4Ge4 cuboctahedra, edges with six GeMn6Fe6 cuboctahedra, edges with eight FeMn4Fe4Ge4 cuboctahedra, faces with four GeMn6Fe6 cuboctahedra, faces with six MnMn4Fe4Ge4 cuboctahedra, and faces with ten FeMn4Fe4Ge4 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.69 Å) Mn–Mn bond lengths. All Mn–Fe bond lengths are 2.52 Å. All Mn–Ge bond lengths are 2.59 Å. In the second Mn site, Mn is bonded to four equivalent Mn, four Fe, and four Ge atoms to form distorted MnMn4Fe4Ge4 cuboctahedra that share corners with four equivalent GeMn6Fe6 cuboctahedra, corners with fourteen MnMn4Fe4Ge4 cuboctahedra, edges with four equivalent MnMn4Fe4Ge4 cuboctahedra, edges with six GeMn6Fe6 cuboctahedra, edges with eight FeMn4Fe4Ge4 cuboctahedra, faces with four GeMn6Fe6 cuboctahedra, faces with six MnMn4Fe4Ge4 cuboctahedra, and faces with ten FeMn4Fe4Ge4 cuboctahedra. All Mn–Fe bond lengths are 2.52 Å. All Mn–Ge bond lengths are 2.59 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four Mn, four Fe, and four Ge atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent GeMn6Fe6 cuboctahedra, corners with fourteen FeMn4Fe4Ge4 cuboctahedra, edges with four FeMn4Fe4Ge4 cuboctahedra, edges with six GeMn6Fe6 cuboctahedra, edges with eight MnMn4Fe4Ge4 cuboctahedra, faces with four GeMn6Fe6 cuboctahedra, faces with six FeMn4Fe4Ge4 cuboctahedra, and faces with ten MnMn4Fe4Ge4 cuboctahedra. Both Fe–Mn bond lengths are 2.52 Å. There are two shorter (2.49 Å) and two longer (2.69 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.59 Å. In the second Fe site, Fe is bonded to four Mn, four Fe, and four Ge atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent GeMn6Fe6 cuboctahedra, corners with fourteen FeMn4Fe4Ge4 cuboctahedra, edges with four FeMn4Fe4Ge4 cuboctahedra, edges with six GeMn6Fe6 cuboctahedra, edges with eight MnMn4Fe4Ge4 cuboctahedra, faces with four GeMn6Fe6 cuboctahedra, faces with six FeMn4Fe4Ge4 cuboctahedra, and faces with ten MnMn4Fe4Ge4 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.69 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.59 Å. In the third Fe site, Fe is bonded to four equivalent Mn, four Fe, and four Ge atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent GeMn6Fe6 cuboctahedra, corners with fourteen FeMn4Fe4Ge4 cuboctahedra, edges with four FeMn4Fe4Ge4 cuboctahedra, edges with six GeMn6Fe6 cuboctahedra, edges with eight equivalent MnMn4Fe4Ge4 cuboctahedra, faces with four GeMn6Fe6 cuboctahedra, faces with six FeMn4Fe4Ge4 cuboctahedra, and faces with ten MnMn4Fe4Ge4 cuboctahedra. All Fe–Ge bond lengths are 2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to six Mn and six Fe atoms to form GeMn6Fe6 cuboctahedra that share corners with six equivalent GeMn6Fe6 cuboctahedra, corners with twelve FeMn4Fe4Ge4 cuboctahedra, edges with six FeMn4Fe4Ge4 cuboctahedra, edges with twelve MnMn4Fe4Ge4 cuboctahedra, faces with six MnMn4Fe4Ge4 cuboctahedra, faces with six FeMn4Fe4Ge4 cuboctahedra, and faces with eight GeMn6Fe6 cuboctahedra. In the second Ge site, Ge is bonded to six Mn and six Fe atoms to form GeMn6Fe6 cuboctahedra that share corners with six equivalent GeMn6Fe6 cuboctahedra, corners with twelve MnMn4Fe4Ge4 cuboctahedra, edges with six MnMn4Fe4Ge4 cuboctahedra, edges with twelve FeMn4Fe4Ge4 cuboctahedra, faces with six MnMn4Fe4Ge4 cuboctahedra, faces with six FeMn4Fe4Ge4 cuboctahedra, and faces with eight GeMn6Fe6 cuboctahedra.

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Materials Data on Fe7Ge4 by Materials Project

Fe7Ge4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.61 Å. All Fe–Ge bond lengths are 2.65 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.71 Å. There are three shorter (2.65 Å) and three longer (2.67 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded to six equivalent Fe and five Ge atoms to form a mixture of distorted face and corner-sharing FeFe6Ge5 trigonal bipyramids. There are three shorter (2.34 Å) and two longer (2.52 Å) Fe–Ge bond lengths. In the fourth Fe site, Fe is bonded to six Fe and five Ge atoms to form a mixture of distorted face and corner-sharing FeFe6Ge5 trigonal bipyramids. There are a spread of Fe–Ge bond distances ranging from 2.35–2.59 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Fe atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to eight Fe atoms. In the third Ge site, Ge is bonded in a 11-coordinate geometry to eleven Fe atoms.

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Materials Data on Eu(GaGe2)2 by Materials Project

EuGa2Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to four equivalent Ga and ten Ge atoms. All Eu–Ga bond lengths are 3.41 Å. There are a spread of Eu–Ge bond distances ranging from 3.42–3.58 Å. Ga is bonded in a 6-coordinate geometry to two equivalent Eu, two equivalent Ga, and two Ge atoms. Both Ga–Ga bond lengths are 2.47 Å. There are one shorter (2.53 Å) and one longer (2.54 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to three equivalent Eu, one Ga, and three Ge atoms. There are one shorter (2.52 Å) and two longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Eu, one Ga, and three Ge atoms. The Ge–Ge bond length is 2.56 Å.

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Materials Data on Tb11(In3Ge2)2 by Materials Project

Tb11Ge4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.38 Å) and two longer (3.46 Å) Tb–In bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.24 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.11 Å) and two longer (3.36 Å) Tb–In bond lengths. All Tb–Ge bond lengths are 3.02 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.32 Å) and two longer (3.48 Å) Tb–In bond lengths. There are two shorter (2.84 Å) and two longer (3.36 Å) Tb–Ge bond lengths. In the fourth Tb site, Tb is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.37 Å) and four longer (3.45 Å) Tb–In bond lengths. The Tb–Ge bond length is 3.54 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb and two In atoms. There are one shorter (2.95 Å) and one longer (3.07 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Tb and four In atoms. Both In–In bond lengths are 3.00 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Tb atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Tb atoms.

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