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Materials Data on Tm3Ga2Ge3 by Materials Project

Tm3Ga2Ge3 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to three equivalent Ga and five Ge atoms. There are one shorter (2.98 Å) and two longer (3.09 Å) Tm–Ga bond lengths. There are three shorter (2.92 Å) and two longer (3.12 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Ga and six Ge atoms. All Tm–Ga bond lengths are 3.10 Å. There are a spread of Tm–Ge bond distances ranging from 2.71–3.05 Å. Ga is bonded in a 8-coordinate geometry to five Tm and three equivalent Ge atoms. There are two shorter (2.64 Å) and one longer (2.75 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to six Tm atoms to form corner-sharing GeTm6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Tm and three equivalent Ga atoms.

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Materials Data on Ce2Ga9CoGe2 by Materials Project

Ce2CoGa9Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to ten Ga and four Ge atoms. There are a spread of Ce–Ga bond distances ranging from 3.21–3.37 Å. There are two shorter (2.99 Å) and two longer (3.10 Å) Ce–Ge bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Co, three equivalent Ga, and two Ge atoms. There are one shorter (2.59 Å) and two longer (2.85 Å) Ga–Ga bond lengths. There are one shorter (2.69 Å) and one longer (2.90 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Ce and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.62 Å. In the third Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ce, four equivalent Ga, and one Ge atom. The Ga–Ge bond length is 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Ga atoms.

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Materials Data on Mn4Fe8Si3Ge by Materials Project

Mn4Fe8GeSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe and six Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.38–2.44 Å. There are three shorter (2.80 Å) and three longer (2.81 Å) Mn–Si bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe, three equivalent Ge, and three equivalent Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.42–2.49 Å. All Mn–Ge bond lengths are 2.81 Å. All Mn–Si bond lengths are 2.81 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Mn and four Si atoms. All Fe–Si bond lengths are 2.43 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four Si atoms. All Fe–Si bond lengths are 2.43 Å. In the third Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Ge, and one Si atom. There are three shorter (2.42 Å) and one longer (2.49 Å) Fe–Mn bond lengths. All Fe–Ge bond lengths are 2.45 Å. The Fe–Si bond length is 2.40 Å. In the fourth Fe site, Fe is bonded in a body-centered cubic geometry to four Mn, one Ge, and three equivalent Si atoms. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.42 Å. In the fifth Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four Si atoms. All Fe–Si bond lengths are 2.43 Å. In the sixth Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Ge, and one Si atom. All Fe–Ge bond lengths are 2.45 Å. The Fe–Si bond length is 2.40 Å. In the seventh Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Ge, and one Si atom. All Fe–Ge bond lengths are 2.45 Å. The Fe–Si bond length is 2.40 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Fe atoms. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted body-centered cubic geometry to six Mn and eight Fe atoms. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Fe atoms.

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Materials Data on Pr7In6Ni5Ge3 by Materials Project

Pr7Ni5In6Ge3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded to six equivalent Ni and six equivalent Ge atoms to form face-sharing PrNi6Ge6 cuboctahedra. All Pr–Ni bond lengths are 3.26 Å. All Pr–Ge bond lengths are 3.15 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to three Ni, six In, and two equivalent Ge atoms. There are two shorter (2.99 Å) and one longer (3.11 Å) Pr–Ni bond lengths. There are a spread of Pr–In bond distances ranging from 3.37–3.48 Å. Both Pr–Ge bond lengths are 3.12 Å. In the third Pr site, Pr is bonded in a 11-coordinate geometry to three Ni, six In, and two equivalent Ge atoms. There are two shorter (3.06 Å) and one longer (3.14 Å) Pr–Ni bond lengths. There are a spread of Pr–In bond distances ranging from 3.35–3.49 Å. Both Pr–Ge bond lengths are 3.10 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Ni–In bond lengths are 2.79 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Ni–In bond lengths are 2.78 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to six Pr, one In, and two equivalent Ge atoms. The Ni–In bond length is 2.72 Å. Both Ni–Ge bond lengths are 2.42 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Pr and three Ni atoms. In the second In site, In is bonded in a 9-coordinate geometry to six Pr, two equivalent Ni, two equivalent In, and one Ge atom. Both In–In bond lengths are 3.17 Å. The In–Ge bond length is 2.94 Å. Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Ni, and one In atom.

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Materials Data on Ca(GePt)2 by Materials Project

Ca(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.21–3.43 Å. There are a spread of Ca–Ge bond distances ranging from 3.21–3.42 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.56 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ca and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.44–2.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca and five Pt atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Pt atoms.

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Materials Data on Sr2LiGe3 by Materials Project

LiSr2Ge3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to six Sr and three Ge atoms. There are a spread of Li–Sr bond distances ranging from 3.41–3.45 Å. There are one shorter (2.52 Å) and two longer (2.54 Å) Li–Ge bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to two equivalent Li and ten Ge atoms to form a mixture of distorted edge and face-sharing SrLi2Ge10 cuboctahedra. There are a spread of Sr–Ge bond distances ranging from 3.34–3.49 Å. In the second Sr site, Sr is bonded to four equivalent Li and eight Ge atoms to form a mixture of distorted edge and face-sharing SrLi4Ge8 cuboctahedra. There are a spread of Sr–Ge bond distances ranging from 3.37–3.45 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Sr atoms. In the second Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Sr atoms.

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Materials Data on GdAlZnGe2 by Materials Project

GdZnAlGe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Gd is bonded to six Ge atoms to form GdGe6 octahedra that share corners with six equivalent ZnGe4 tetrahedra, corners with six equivalent AlGe4 tetrahedra, edges with six equivalent GdGe6 octahedra, edges with three equivalent ZnGe4 tetrahedra, and edges with three equivalent AlGe4 tetrahedra. There are three shorter (2.96 Å) and three longer (3.01 Å) Gd–Ge bond lengths. Zn is bonded to four Ge atoms to form distorted ZnGe4 tetrahedra that share corners with six equivalent GdGe6 octahedra, corners with six equivalent ZnGe4 tetrahedra, edges with three equivalent GdGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. There are three shorter (2.53 Å) and one longer (2.73 Å) Zn–Ge bond lengths. Al is bonded to four Ge atoms to form AlGe4 tetrahedra that share corners with six equivalent GdGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent GdGe6 octahedra, and edges with three equivalent ZnGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are one shorter (2.57 Å) and three longer (2.58 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to three equivalent Gd, one Zn, and three equivalent Al atoms to form distorted GeGd3Al3Zn pentagonal bipyramids that share corners with three equivalent GeGd3AlZn3 pentagonal bipyramids and edges with twelve GeGd3Al3Zn pentagonal bipyramids. In the second Ge site, Ge is bonded to three equivalent Gd, three equivalent Zn, and one Al atom to form a mixture of distorted edge and corner-sharing GeGd3AlZn3 pentagonal bipyramids.

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Materials Data on Y(GePt)2 by Materials Project

Y(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.24–3.41 Å. There are a spread of Y–Ge bond distances ranging from 3.20–3.39 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Y and five Ge atoms. There are one shorter (2.43 Å) and four longer (2.52 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Ge atoms. There are one shorter (2.55 Å) and three longer (2.56 Å) Pt–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 Y and five Pt atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Pt atoms.

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Materials Data on Ge3F8 by Materials Project

Ge3F8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Ge3F8 sheet oriented in the (-1, 0, 2) direction. there are two inequivalent Ge+2.67+ sites. In the first Ge+2.67+ site, Ge+2.67+ is bonded in a 4-coordinate geometry to three F1- atoms. There are a spread of Ge–F bond distances ranging from 1.98–2.04 Å. In the second Ge+2.67+ site, Ge+2.67+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.80–1.90 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.67+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ge+2.67+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ge+2.67+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ge+2.67+ atoms.

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Materials Data on Gd(Ge2Rh3)2 by Materials Project

Gd(Rh3Ge2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd is bonded to six equivalent Rh and six equivalent Ge atoms to form face-sharing GdGe6Rh6 cuboctahedra. All Gd–Rh bond lengths are 3.16 Å. All Gd–Ge bond lengths are 3.13 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.50 Å) and four longer (2.57 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Gd and four Ge atoms. There are two shorter (2.48 Å) and two longer (2.56 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Rh atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Gd and six Rh atoms.

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Materials Data on Ca(GePt)2 by Materials Project

Ca(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.24–3.45 Å. There are a spread of Ca–Ge bond distances ranging from 3.23–3.39 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ca and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.56 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. There are two shorter (2.55 Å) and two longer (2.56 Å) Pt–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 and five Pt atoms. In the second Ge site, Ge is bonded to four equivalent Ca and four equivalent Pt atoms to form a mixture of distorted face and edge-sharing GeCa4Pt4 tetrahedra.

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Materials Data on La(GeIr)2 by Materials Project

La(IrGe)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.27 Å) and four longer (3.40 Å) La–Ir bond lengths. All La–Ge bond lengths are 3.31 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.54 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.53 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La and five Ir atoms.

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Materials Data on MgGe2 by Materials Project

MgGe2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.89–3.16 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Mg and three Ge atoms. There are one shorter (2.55 Å) and two longer (2.70 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to five equivalent Mg and two equivalent Ge atoms.

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Materials Data on Sm3(GeRh)2 by Materials Project

Sm3Rh2Ge2 crystallizes in the orthorhombic Pbcm 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 four equivalent Rh and five Ge atoms. There are a spread of Sm–Rh bond distances ranging from 2.94–3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.38 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.07 Å) and two longer (3.16 Å) Sm–Rh bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.03–3.35 Å. Rh is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.56 Å) and two longer (2.61 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm and two equivalent Rh atoms. In the second Ge site, Ge is bonded to eight Sm and four equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing GeSm8Rh4 cuboctahedra.

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Materials Data on Ho(Ge2Rh3)2 by Materials Project

Ho(Rh3Ge2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Rh and six equivalent Ge atoms to form face-sharing HoGe6Rh6 cuboctahedra. All Ho–Rh bond lengths are 3.14 Å. All Ho–Ge bond lengths are 3.12 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.51 Å) and four longer (2.56 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Ho and four Ge atoms. There are two shorter (2.47 Å) and two longer (2.56 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Ho and six Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Rh atoms.

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Materials Data on Nd3(GeRh)2 by Materials Project

Nd3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Nd–Rh bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.06–3.37 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Nd–Rh bond distances ranging from 2.94–3.23 Å. There are a spread of Nd–Ge bond distances ranging from 3.09–3.42 Å. Rh is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.63 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd and two equivalent Rh atoms. In the second Ge site, Ge is bonded to eight Nd and four equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing GeNd8Rh4 cuboctahedra.

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Materials Data on Sr2LiGe3 by Materials Project

LiSr2Ge3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to six Sr and three Ge atoms. There are four shorter (3.43 Å) and two longer (3.46 Å) Li–Sr bond lengths. All Li–Ge bond lengths are 2.53 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to two equivalent Li and ten Ge atoms to form a mixture of distorted edge and face-sharing SrLi2Ge10 cuboctahedra. There are a spread of Sr–Ge bond distances ranging from 3.37–3.46 Å. In the second Sr site, Sr is bonded to four equivalent Li and eight Ge atoms to form a mixture of distorted edge and face-sharing SrLi4Ge8 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.43 Å) Sr–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Sr atoms. In the second Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Sr atoms.

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Materials Data on ErGeRh2 by Materials Project

ErRh2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.28 Å. There are three shorter (3.02 Å) and six longer (3.11 Å) Er–Rh bond lengths. In the second Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.28 Å. There are three shorter (3.02 Å) and six longer (3.11 Å) Er–Rh bond lengths. In the third Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.28 Å. There are three shorter (3.02 Å) and six longer (3.11 Å) Er–Rh bond lengths. In the fourth Er site, Er is bonded in a 6-coordinate geometry to two Er, twelve equivalent Rh, and six Ge atoms. All Er–Rh bond lengths are 3.38 Å. All Er–Ge bond lengths are 3.22 Å. Rh is bonded in a 12-coordinate geometry to five Er, four equivalent Rh, and three Ge atoms. There are two shorter (2.76 Å) and two longer (2.82 Å) Rh–Rh bond lengths. There are a spread of Rh–Ge bond distances ranging from 2.48–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms. In the third Ge site, Ge is bonded in a distorted cuboctahedral geometry to six equivalent Rh atoms.

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