cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753557
title: Materials Data on ScCuAu2 by Materials Project

description: ScAu2Cu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScAu2Cu ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Au atoms. Both Sc–Au bond lengths are 2.53 Å. Au is bonded in a linear geometry to one Sc and one Cu atom. The Au–Cu bond length is 2.47 Å. Cu is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1753558
title: Materials Data on Ho2V2O7 by Materials Project

description: Ho2V2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.19 Å) and six longer (2.46 Å) Ho–O bond lengths. V4+ is bonded to six equivalent O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All V–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ho3+ atoms to form corner-sharing OHo4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent V4+ atoms.
DOI: 10.17188/1753559
title: Materials Data on CeUTe6 by Materials Project

description: UCeTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UCeTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.24–3.27 Å. Ce3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Ce–Te bond distances ranging from 3.26–3.33 Å. There are four inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Ce3+ atoms. In the second Te1- site, Te1- is bonded to four equivalent U3+ and one Ce3+ atom to form a mixture of distorted corner and edge-sharing TeCeU4 trigonal bipyramids. In the third Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the fourth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ce3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å.
DOI: 10.17188/1753560
title: Materials Data on YbTl(WO4)2 by Materials Project

description: YbTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.41 Å. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.81–2.18 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.60–3.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded to one Yb3+, two equivalent W6+, and one Tl1+ atom to form a mixture of distorted edge and corner-sharing OYbTlW2 tetrahedra. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+, one W6+, and one Tl1+ atom.
DOI: 10.17188/1753561
title: Materials Data on Ac3Mo by Materials Project

description: Ac3Mo is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Mo atoms to form distorted AcAc8Mo4 cuboctahedra that share corners with twelve equivalent AcAc8Mo4 cuboctahedra, edges with eight equivalent AcAc8Mo4 cuboctahedra, edges with eight equivalent MoAc12 cuboctahedra, faces with four equivalent MoAc12 cuboctahedra, and faces with ten equivalent AcAc8Mo4 cuboctahedra. There are four shorter (3.57 Å) and four longer (3.70 Å) Ac–Ac bond lengths. All Ac–Mo bond lengths are 3.70 Å. In the second Ac site, Ac is bonded in a square co-planar geometry to eight equivalent Ac and four equivalent Mo atoms. All Ac–Mo bond lengths are 3.57 Å. Mo is bonded to twelve Ac atoms to form MoAc12 cuboctahedra that share corners with four equivalent MoAc12 cuboctahedra, edges with eight equivalent MoAc12 cuboctahedra, edges with sixteen equivalent AcAc8Mo4 cuboctahedra, faces with four equivalent MoAc12 cuboctahedra, and faces with eight equivalent AcAc8Mo4 cuboctahedra.
DOI: 10.17188/1753563
title: Materials Data on Ba4Cr2MoWO12 by Materials Project

description: Ba4WMoCr2O12 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, a faceface with one MoO6 octahedra, faces with three equivalent WO6 octahedra, and faces with four equivalent CrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.81–2.93 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, a faceface with one WO6 octahedra, faces with three equivalent MoO6 octahedra, and faces with four equivalent CrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–2.97 Å. W4+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All W–O bond lengths are 1.96 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Mo–O bond lengths are 2.09 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with three equivalent WO6 octahedra, corners with three equivalent MoO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are three shorter (1.99 Å) and three longer (2.15 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one W4+, and one Cr3+ atom. In the second O2- site, O2- is bonded to four Ba2+, one Mo6+, and one Cr3+ atom to form a mixture of distorted corner, edge, and face-sharing OBa4CrMo octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1753564
title: Materials Data on Li6Cr3Sb(PO4)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753565
title: Materials Data on Y3Pd by Materials Project

description: Y3Pd is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Y3Pd sheets oriented in the (0, 0, 1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Pd atoms. There are one shorter (2.89 Å) and one longer (2.95 Å) Y–Pd bond lengths. In the second Y site, Y is bonded in a 2-coordinate geometry to two equivalent Pd atoms. There are one shorter (2.87 Å) and one longer (2.93 Å) Y–Pd bond lengths. Pd is bonded in a 6-coordinate geometry to six Y atoms.
DOI: 10.17188/1753566
title: Materials Data on Er2AlZn by Materials Project

description: Er2ZnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Al atoms. All Er–Zn bond lengths are 3.08 Å. All Er–Al bond lengths are 3.08 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1753567
title: Materials Data on TbGaO3 by Materials Project

description: TbGaO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Tb3+ is bonded in a distorted trigonal planar geometry to nine equivalent O2- atoms. There are three shorter (2.24 Å) and six longer (2.74 Å) Tb–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Ga–O bond lengths are 1.99 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Tb3+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1753568
title: Materials Data on ZrTi2O by Materials Project

description: Ti2ZrO crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two Ti2ZrO sheets oriented in the (0, 1, 0) direction. Zr is bonded in a linear geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.34 Å. Ti is bonded in an L-shaped geometry to two equivalent O atoms. Both Ti–O bond lengths are 2.10 Å. O is bonded to two equivalent Zr and four equivalent Ti atoms to form a mixture of edge and corner-sharing OZr2Ti4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1753569
title: Materials Data on YbMgS3 by Materials Project

description: MgYbS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six equivalent S+1.67- atoms. All Mg–S bond lengths are 2.55 Å. Yb3+ is bonded in a 6-coordinate geometry to six equivalent S+1.67- atoms. There are three shorter (2.83 Å) and three longer (2.91 Å) Yb–S bond lengths. S+1.67- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Yb3+ atoms.
DOI: 10.17188/1753570
title: Materials Data on Sm2(Ga3Ir)3 by Materials Project

description: Sm2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.04–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.60–2.66 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.59–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Ir, and six Ga atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Sm, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.96 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, three Ir, and five Ga atoms. There are one shorter (2.80 Å) and two longer (2.84 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.72 Å.
DOI: 10.17188/1753572
title: Materials Data on MnNiTe2 by Materials Project

description: MnNiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with twelve equivalent NiTe6 octahedra, edges with six equivalent MnTe6 octahedra, and faces with two equivalent NiTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mn–Te bond lengths are 2.79 Å. Ni2+ is bonded to six equivalent Te2- atoms to form NiTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent NiTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ni–Te bond lengths are 2.68 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Mn2+ and three equivalent Ni2+ atoms.
DOI: 10.17188/1753573
title: Materials Data on ErFeNi by Materials Project

description: ErFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Ni atoms. There are two shorter (2.98 Å) and four longer (3.01 Å) Er–Fe bond lengths. There are four shorter (2.90 Å) and two longer (3.05 Å) Er–Ni bond lengths. Fe is bonded to six equivalent Er, two equivalent Fe, and four equivalent Ni atoms to form FeEr6Fe2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Fe4Ni2 cuboctahedra, corners with ten equivalent FeEr6Fe2Ni4 cuboctahedra, edges with six equivalent FeEr6Fe2Ni4 cuboctahedra, faces with six equivalent FeEr6Fe2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Fe4Ni2 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. All Fe–Ni bond lengths are 2.55 Å. Ni is bonded to six equivalent Er, four equivalent Fe, and two equivalent Ni atoms to form NiEr6Fe4Ni2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Ni4 cuboctahedra, corners with ten equivalent NiEr6Fe4Ni2 cuboctahedra, edges with six equivalent NiEr6Fe4Ni2 cuboctahedra, faces with six equivalent NiEr6Fe4Ni2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.
DOI: 10.17188/1753574
title: Materials Data on Ca5(OsN3)2 by Materials Project

description: Ca5(OsN3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six N3- atoms to form distorted CaN6 pentagonal pyramids that share corners with four equivalent CaN6 octahedra, corners with two equivalent CaN5 trigonal bipyramids, edges with four equivalent CaN6 octahedra, and edges with four equivalent CaN5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 8–29°. There are a spread of Ca–N bond distances ranging from 2.39–2.73 Å. In the second Ca2+ site, Ca2+ is bonded to six N3- atoms to form distorted CaN6 octahedra that share corners with two equivalent CaN6 pentagonal pyramids, corners with six equivalent CaN5 trigonal bipyramids, edges with three equivalent CaN6 octahedra, edges with two equivalent CaN6 pentagonal pyramids, and edges with two equivalent CaN5 trigonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.53–2.84 Å. In the third Ca2+ site, Ca2+ is bonded to five N3- atoms to form distorted CaN5 trigonal bipyramids that share corners with six equivalent CaN6 octahedra, a cornercorner with one CaN6 pentagonal pyramid, corners with two equivalent CaN5 trigonal bipyramids, edges with two equivalent CaN6 octahedra, edges with two equivalent CaN6 pentagonal pyramids, and an edgeedge with one CaN5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 6–79°. There are a spread of Ca–N bond distances ranging from 2.35–2.68 Å. Os4+ is bonded in a distorted trigonal planar geometry to four N3- atoms. There are a spread of Os–N bond distances ranging from 1.87–2.71 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four Ca2+ and two equivalent Os4+ atoms. In the second N3- site, N3- is bonded to five Ca2+ and one Os4+ atom to form a mixture of distorted corner, edge, and face-sharing NCa5Os octahedra. The corner-sharing octahedra tilt angles range from 12–73°. In the third N3- site, N3- is bonded to five Ca2+ and one Os4+ atom to form a mixture of distorted corner and edge-sharing NCa5Os octahedra. The corner-sharing octahedra tilt angles range from 12–73°.
DOI: 10.17188/1753575
title: Materials Data on LiCoSiO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753576
title: Materials Data on Sm(Ga2Cu)4 by Materials Project

description: Sm(CuGa2)4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to twelve equivalent Cu and eight Ga atoms. All Sm–Cu bond lengths are 3.39 Å. All Sm–Ga bond lengths are 3.12 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to six equivalent Cu and fourteen Ga atoms. All Sm–Cu bond lengths are 3.49 Å. There are eight shorter (3.18 Å) and six longer (3.30 Å) Sm–Ga bond lengths. Cu is bonded to two Sm, two equivalent Cu, and eight Ga atoms to form distorted CuSm2Ga8Cu2 cuboctahedra that share corners with five equivalent GaSm2Ga6Cu4 cuboctahedra, corners with nine equivalent CuSm2Ga8Cu2 cuboctahedra, edges with three equivalent CuSm2Ga8Cu2 cuboctahedra, edges with three equivalent GaSm2Ga6Cu4 cuboctahedra, faces with two equivalent GaSm2Ga6Cu4 cuboctahedra, and faces with eight equivalent CuSm2Ga8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.61 Å. There are a spread of Cu–Ga bond distances ranging from 2.62–2.78 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Sm, four equivalent Cu, and six Ga atoms to form distorted GaSm2Ga6Cu4 cuboctahedra that share corners with four equivalent GaSm2Ga6Cu4 cuboctahedra, corners with ten equivalent CuSm2Ga8Cu2 cuboctahedra, an edgeedge with one GaSm2Ga6Cu4 cuboctahedra, edges with six equivalent CuSm2Ga8Cu2 cuboctahedra, faces with four equivalent CuSm2Ga8Cu2 cuboctahedra, and faces with five equivalent GaSm2Ga6Cu4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.73–2.85 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Sm, three equivalent Cu, and four Ga atoms. The Ga–Ga bond length is 2.62 Å. In the third Ga site, Ga is bonded in a 8-coordinate geometry to one Sm, six equivalent Cu, and seven Ga atoms. There are one shorter (2.73 Å) and six longer (3.01 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 5-coordinate geometry to one Sm, four equivalent Cu, and three Ga atoms. The Ga–Ga bond length is 2.77 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Sm, four equivalent Cu, and six Ga atoms. Both Ga–Ga bond lengths are 2.68 Å.
DOI: 10.17188/1753577
title: Materials Data on In3Pt by Materials Project

description: PtIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt is bonded to twelve equivalent In atoms to form PtIn12 cuboctahedra that share corners with twelve equivalent PtIn12 cuboctahedra, edges with twenty-four equivalent InIn8Pt4 cuboctahedra, faces with six equivalent PtIn12 cuboctahedra, and faces with twelve equivalent InIn8Pt4 cuboctahedra. All Pt–In bond lengths are 3.14 Å. In is bonded to four equivalent Pt and eight equivalent In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with twelve equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen equivalent InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen equivalent InIn8Pt4 cuboctahedra. All In–In bond lengths are 3.14 Å.
DOI: 10.17188/1753579
title: Materials Data on SrGaSi by Materials Project

description: Sr(GaSi) crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SrSi6 pentagonal pyramids. All Sr–Si bond lengths are 3.39 Å. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ga–Si bond lengths are 2.44 Å. Si4- is bonded in a 3-coordinate geometry to six equivalent Sr2+ and three equivalent Ga2+ atoms.
DOI: 10.17188/1753580
title: Materials Data on Sm2Ga9NiGe2 by Materials Project

description: Sm2NiGa9Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to ten Ga and four Ge atoms. There are four shorter (3.29 Å) and six longer (3.30 Å) Sm–Ga bond lengths. There are two shorter (3.01 Å) and two longer (3.18 Å) Sm–Ge bond lengths. In the second Sm site, Sm is bonded in a 2-coordinate geometry to ten Ga and four Ge atoms. There are four shorter (3.29 Å) and six longer (3.30 Å) Sm–Ga bond lengths. There are two shorter (3.01 Å) and two longer (3.18 Å) Sm–Ge bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.48 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. There are one shorter (2.62 Å) and two longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to two Sm, two Ni, three Ga, and two Ge atoms. Both Ga–Sm bond lengths are 3.29 Å. There are one shorter (2.62 Å) and two longer (2.78 Å) Ga–Ga bond lengths. There are one shorter (2.68 Å) and one longer (2.88 Å) Ga–Ge bond lengths. In the fifth Ga site, Ga is bonded in a 6-coordinate geometry to two Sm and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.64 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Sm, four equivalent Ga, and one Ge atom. The Ga–Ge bond length is 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Sm and five Ga atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Sm and four Ga atoms.