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DOE OSTI2020

Materials Data on Ba10Al3Ge7 by Materials Project

Ba10Al3Ge7 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to two equivalent Al and five Ge atoms. Both Ba–Al bond lengths are 3.58 Å. There are a spread of Ba–Ge bond distances ranging from 3.42–3.90 Å. In the second Ba site, Ba is bonded to six equivalent Ge atoms to form distorted edge-sharing BaGe6 octahedra. All Ba–Ge bond lengths are 3.61 Å. In the third Ba site, Ba is bonded in a 9-coordinate geometry to three equivalent Al and six equivalent Ge atoms. All Ba–Al bond lengths are 3.65 Å. All Ba–Ge bond lengths are 3.76 Å. Al is bonded in a distorted trigonal planar geometry to six Ba and three Ge atoms. There are two shorter (2.53 Å) and one longer (2.66 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to eight Ba and one Al atom. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Al atoms.

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Materials Data on Ga3Ni5Ge2 by Materials Project

Ni5Ga3Ge2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four Ni, four Ga, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.63 Å. There are a spread of Ni–Ga bond distances ranging from 2.41–2.61 Å. There are two shorter (2.44 Å) and one longer (2.73 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Ni, four Ga, and three Ge atoms. There are one shorter (2.56 Å) and one longer (2.64 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.46–2.60 Å. There are two shorter (2.46 Å) and one longer (2.66 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. Both Ni–Ga bond lengths are 2.53 Å. There are two shorter (2.46 Å) and two longer (2.50 Å) Ni–Ge bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Ni and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Ni, four equivalent Ga, and two equivalent Ge atoms. Both Ga–Ge bond lengths are 2.83 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight Ni and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2(GeTe)3 by Materials Project

Co2(GeTe)3 is Skutterudite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ge and three equivalent Te atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. All Co–Ge bond lengths are 2.38 Å. All Co–Te bond lengths are 2.52 Å. In the second Co site, Co is bonded to three Ge and three Te atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Co–Ge bond distances ranging from 2.35–2.37 Å. There are two shorter (2.54 Å) and one longer (2.56 Å) Co–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to two Co and two equivalent Te atoms. There are one shorter (2.78 Å) and one longer (2.96 Å) Ge–Te bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Te atoms. There are one shorter (2.79 Å) and one longer (2.96 Å) Ge–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to two Co and two equivalent Ge atoms. In the second Te site, Te is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Ge atoms.

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Materials Data on Nd4Ge3Rh4 by Materials Project

Nd4Rh4Ge3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to seven Rh and four Ge atoms. There are a spread of Nd–Rh bond distances ranging from 3.04–3.42 Å. There are a spread of Nd–Ge bond distances ranging from 3.10–3.42 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to five Rh and five Ge atoms. There are a spread of Nd–Rh bond distances ranging from 2.94–3.15 Å. There are a spread of Nd–Ge bond distances ranging from 3.07–3.40 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.64 Å) and two longer (2.65 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Nd and three equivalent Ge atoms. There are one shorter (2.50 Å) and two longer (2.53 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to eight Nd and four equivalent Rh atoms to form a mixture of distorted face and edge-sharing GeNd8Rh4 cuboctahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Nd and four Rh atoms.

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Materials Data on Yb8Ge3Sb5 by Materials Project

Yb8Ge3Sb5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to three Ge and four Sb atoms. There are two shorter (2.98 Å) and one longer (3.39 Å) Yb–Ge bond lengths. There are two shorter (3.16 Å) and two longer (3.22 Å) Yb–Sb bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.10–3.73 Å. In the third Yb site, Yb is bonded to one Ge and six Sb atoms to form a mixture of distorted corner, edge, and face-sharing YbGeSb6 pentagonal bipyramids. The Yb–Ge bond length is 3.18 Å. There are a spread of Yb–Sb bond distances ranging from 3.15–3.68 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to five Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to eight Yb atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to eight Yb atoms.

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Materials Data on Li8Zn2Ge3 by Materials Project

Li8Zn2Ge3 crystallizes in the trigonal R3c 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 seven Li, one Zn, and three equivalent Ge atoms. There are a spread of Li–Li bond distances ranging from 2.49–2.84 Å. The Li–Zn bond length is 2.78 Å. All Li–Ge bond lengths are 2.82 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to six Li, two Zn, and four equivalent Ge atoms. There are a spread of Li–Li bond distances ranging from 2.64–3.05 Å. There are one shorter (2.74 Å) and one longer (2.88 Å) Li–Zn bond lengths. There are a spread of Li–Ge bond distances ranging from 2.73–2.91 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to six Li, two Zn, and four equivalent Ge atoms. The Li–Li bond length is 2.95 Å. There are one shorter (2.74 Å) and one longer (2.79 Å) Li–Zn bond lengths. There are a spread of Li–Ge bond distances ranging from 2.75–2.88 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to seven Li, one Zn, and three equivalent Ge atoms. The Li–Zn bond length is 2.98 Å. All Li–Ge bond lengths are 2.69 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to seven Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.55 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to seven Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.56 Å. Ge is bonded to ten Li and two Zn atoms to form a mixture of edge and face-sharing GeLi10Zn2 cuboctahedra.

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Materials Data on LiCa2InGe2 by Materials Project

LiCa2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to one In and four Ge atoms. The Li–In bond length is 2.95 Å. There are a spread of Li–Ge bond distances ranging from 2.70–2.83 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.56 Å) and one longer (3.65 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.09–3.19 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to four equivalent In and five Ge atoms. There are two shorter (3.32 Å) and two longer (3.48 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.10–3.16 Å. In is bonded in a 12-coordinate geometry to one Li, seven Ca, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Ca, and two equivalent In atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Ca, and two equivalent In atoms.

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Materials Data on Sr14Al8Ge3 by Materials Project

Sr14Al8Ge3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are seven inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to two Al and three equivalent Ge atoms. There are one shorter (3.43 Å) and one longer (3.44 Å) Sr–Al bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.29–3.35 Å. In the second Sr site, Sr is bonded in a 5-coordinate geometry to three Al and two equivalent Ge atoms. There are a spread of Sr–Al bond distances ranging from 3.50–3.59 Å. There are one shorter (3.29 Å) and one longer (3.73 Å) Sr–Ge bond lengths. In the third Sr site, Sr is bonded to three Al and one Ge atom to form distorted SrAl3Ge tetrahedra that share a cornercorner with one SrGe6 octahedra and corners with two equivalent SrAl3Ge tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Sr–Al bond distances ranging from 3.32–3.57 Å. The Sr–Ge bond length is 3.42 Å. In the fourth Sr site, Sr is bonded in a 6-coordinate geometry to five Al and one Ge atom. There are a spread of Sr–Al bond distances ranging from 3.36–3.55 Å. The Sr–Ge bond length is 3.28 Å. In the fifth Sr site, Sr is bonded in a 6-coordinate geometry to three equivalent Al and three equivalent Ge atoms. All Sr–Al bond lengths are 3.47 Å. All Sr–Ge bond lengths are 3.32 Å. In the sixth Sr site, Sr is bonded in a 12-coordinate geometry to six equivalent Al atoms. All Sr–Al bond lengths are 3.74 Å. In the seventh Sr site, Sr is bonded to six equivalent Ge atoms to form distorted corner-sharing SrGe6 octahedra. All Sr–Ge bond lengths are 3.54 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to five Sr and three Al atoms. There are two shorter (2.70 Å) and one longer (2.73 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to six Sr and three Al atoms. There are two shorter (2.70 Å) and one longer (2.73 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. In the fourth Al site, Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. Ge is bonded in a 9-coordinate geometry to nine Sr atoms.

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Materials Data on Sr2LiInGe2 by Materials Project

LiSr2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to one In and four Ge atoms. The Li–In bond length is 3.03 Å. There are a spread of Li–Ge bond distances ranging from 2.80–2.94 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.76 Å) and one longer (3.77 Å) Sr–In bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.23–3.35 Å. In the second Sr site, Sr is bonded in a 5-coordinate geometry to four equivalent In and five Ge atoms. There are two shorter (3.44 Å) and two longer (3.63 Å) Sr–In bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.22–3.27 Å. In is bonded in a 12-coordinate geometry to one Li, seven Sr, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.92–2.96 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Sr, and two equivalent In atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Sr, and two equivalent In atoms.

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Materials Data on UFeGe by Materials Project

UFeGe crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 2-coordinate geometry to four Fe and six Ge atoms. There are a spread of U–Fe bond distances ranging from 2.14–3.09 Å. There are a spread of U–Ge bond distances ranging from 3.03–3.29 Å. In the second U site, U is bonded in a 10-coordinate geometry to four Fe and six Ge atoms. There are a spread of U–Fe bond distances ranging from 2.97–3.18 Å. There are a spread of U–Ge bond distances ranging from 2.97–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to four U and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.52–3.28 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to four U and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.44–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six U and four Fe atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six U and four Fe atoms.

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Materials Data on Li(Fe3Ge2)2 by Materials Project

LiFe6Ge4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded to twelve Fe and eight Ge atoms to form distorted face-sharing LiFe12Ge8 hexagonal bipyramids. All Li–Fe bond lengths are 3.25 Å. There are two shorter (2.48 Å) and six longer (2.91 Å) Li–Ge bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to two equivalent Li, six Fe, and five Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.80 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.56 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to two equivalent Li, six equivalent Fe, and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.48–2.56 Å. In the third Fe site, Fe is bonded in a 5-coordinate geometry to two equivalent Li, six equivalent Fe, and five Ge atoms. Both Fe–Li bond lengths are 3.25 Å. There are a spread of Fe–Fe bond distances ranging from 2.46–2.80 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li and nine Fe atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Li and six Fe atoms.

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Materials Data on CoReGe2 by Materials Project

ReCoGe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a distorted body-centered cubic geometry to four equivalent Co and ten Ge atoms. All Re–Co bond lengths are 2.66 Å. There are four shorter (2.66 Å) and six longer (3.07 Å) Re–Ge bond lengths. Co is bonded in a distorted body-centered cubic geometry to four equivalent Re and ten Ge atoms. There are four shorter (2.66 Å) and six longer (3.07 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Re, six equivalent Co, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.66 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Re, four equivalent Co, and four equivalent Ge atoms.

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Materials Data on Cr3GeN by Materials Project

GeNCr3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.47–2.65 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Cr–N bond length. In the second Cr site, Cr is bonded in a linear geometry to four Ge and two equivalent N atoms. There are three shorter (2.67 Å) and one longer (2.68 Å) Cr–Ge bond lengths. There are one shorter (2.00 Å) and one longer (2.01 Å) Cr–N bond lengths. In the third Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.65 Å. Both Cr–N bond lengths are 1.94 Å. In the fourth Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.64 Å. Both Cr–N bond lengths are 1.94 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. N is bonded to six Cr atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°.

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Materials Data on TiCuGe by Materials Project

TiCuGe crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to six Cu and five Ge atoms. There are a spread of Ti–Cu bond distances ranging from 2.92–3.03 Å. There are a spread of Ti–Ge bond distances ranging from 2.58–2.81 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to six Cu and five Ge atoms. There are four shorter (2.92 Å) and two longer (3.03 Å) Ti–Cu bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.58–2.81 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six Ti, two equivalent Cu, and four Ge atoms to form a mixture of distorted corner, edge, and face-sharing CuTi6Cu2Ge4 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. All Cu–Ge bond lengths are 2.49 Å. In the second Cu site, Cu is bonded to six Ti, two equivalent Cu, and four Ge atoms to form a mixture of distorted corner, edge, and face-sharing CuTi6Cu2Ge4 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Ti and four Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Ti and four Cu atoms.

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Materials Data on LiPrGe2 by Materials Project

LiPrGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.58–2.73 Å. Pr is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Pr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Pr, and two equivalent Ge atoms.

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Materials Data on LuGe2 by Materials Project

LuGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.89–3.18 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.80 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Lu and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å.

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Materials Data on EuNiGe3 by Materials Project

EuNiGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Ni and twelve Ge atoms. There are four shorter (3.44 Å) and one longer (3.45 Å) Eu–Ni bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.19–3.33 Å. Ni is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.35 Å) and four longer (2.39 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Ni, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Ir2Se3 by Materials Project

Ir2Ge3Se3 is Spinel-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to three equivalent Ge and three equivalent Se atoms to form IrGe3Se3 octahedra that share corners with six equivalent IrGe3Se3 octahedra, corners with six equivalent GeIr2Se2 tetrahedra, and corners with six equivalent SeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. All Ir–Ge bond lengths are 2.44 Å. All Ir–Se bond lengths are 2.52 Å. In the second Ir site, Ir is bonded to three Ge and three Se atoms to form IrGe3Se3 octahedra that share corners with six IrGe3Se3 octahedra, corners with six GeIr2Se2 tetrahedra, and corners with six SeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are two shorter (2.42 Å) and one longer (2.44 Å) Ir–Ge bond lengths. There are a spread of Ir–Se bond distances ranging from 2.52–2.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to two equivalent Ir and two equivalent Se atoms to form distorted GeIr2Se2 tetrahedra that share corners with four IrGe3Se3 octahedra, corners with four GeIr2Se2 tetrahedra, corners with six SeGe2Ir2 tetrahedra, and an edgeedge with one GeIr2Se2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–71°. There are one shorter (2.56 Å) and one longer (2.74 Å) Ge–Se bond lengths. In the second Ge site, Ge is bonded to two Ir and two equivalent Se atoms to form distorted GeIr2Se2 tetrahedra that share corners with four equivalent IrGe3Se3 octahedra, corners with four GeIr2Se2 tetrahedra, corners with six SeGe2Ir2 tetrahedra, and an edgeedge with one GeIr2Se2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are one shorter (2.56 Å) and one longer (2.75 Å) Ge–Se bond lengths. There are two inequivalent Se sites. In the first Se site, Se is bonded to two equivalent Ir and two equivalent Ge atoms to form SeGe2Ir2 tetrahedra that share corners with four IrGe3Se3 octahedra, corners with four SeGe2Ir2 tetrahedra, corners with six GeIr2Se2 tetrahedra, and an edgeedge with one SeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–73°. In the second Se site, Se is bonded to two Ir and two equivalent Ge atoms to form SeGe2Ir2 tetrahedra that share corners with four equivalent IrGe3Se3 octahedra, corners with four SeGe2Ir2 tetrahedra, corners with six GeIr2Se2 tetrahedra, and an edgeedge with one SeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–73°.

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