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DOE OSTI2020

Materials Data on Ho2Ga3Fe by Materials Project

Ho2FeGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Fe and nine Ga atoms. There are two shorter (3.17 Å) and one longer (3.23 Å) Ho–Fe bond lengths. There are a spread of Ho–Ga bond distances ranging from 3.01–3.24 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Fe and nine Ga atoms. All Ho–Fe bond lengths are 3.03 Å. There are a spread of Ho–Ga bond distances ranging from 2.98–3.39 Å. Fe is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are a spread of Fe–Ga bond distances ranging from 2.46–2.75 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Fe, and three Ga atoms. There are two shorter (2.59 Å) and one longer (3.01 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, two equivalent Fe, and two Ga atoms. The Ga–Ga bond length is 2.68 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Fe, and three Ga atoms.

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Materials Data on Er2MnGa3 by Materials Project

Er2MnGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to three equivalent Mn and nine Ga atoms. There are two shorter (3.18 Å) and one longer (3.23 Å) Er–Mn bond lengths. There are a spread of Er–Ga bond distances ranging from 3.04–3.28 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to three equivalent Mn and nine Ga atoms. All Er–Mn bond lengths are 3.09 Å. There are a spread of Er–Ga bond distances ranging from 3.03–3.31 Å. Mn is bonded in a 10-coordinate geometry to six Er and four Ga atoms. There are a spread of Mn–Ga bond distances ranging from 2.54–2.82 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six Er, one Mn, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.88 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to six Er, two equivalent Mn, and two Ga atoms. The Ga–Ga bond length is 2.65 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Er, one Mn, and three Ga atoms.

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Materials Data on YGa4Ni by Materials Project

YNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Y–Ni bond lengths are 3.14 Å. There are a spread of Y–Ga bond distances ranging from 2.90–3.36 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.51 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Y and six Ga atoms. There are two shorter (2.84 Å) and four longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Y, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Y, three equivalent Ni, and six Ga atoms. There are one shorter (2.61 Å) and two longer (2.93 Å) Ga–Ga bond lengths.

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Materials Data on Ho2Ga3Cu by Materials Project

Ho2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 2.88 Å. There are a spread of Ho–Ga bond distances ranging from 2.97–3.39 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 3.21 Å. There are six shorter (2.96 Å) and three longer (3.37 Å) Ho–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are three shorter (2.56 Å) and one longer (2.96 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ho, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 3.08 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. All Ga–Ga bond lengths are 2.62 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Cu, and three equivalent Ga atoms.

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Materials Data on Zr2Ga3Co by Materials Project

Zr2CoGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.10 Å) Zr–Co bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.86–3.06 Å. In the second Zr site, Zr is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are one shorter (2.89 Å) and two longer (2.91 Å) Zr–Co bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.87–3.31 Å. Co is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. There are three shorter (2.39 Å) and one longer (2.56 Å) Co–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Co, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.61 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Co, and three Ga atoms.

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Materials Data on Pr2Ga5Cu3 by Materials Project

Pr2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six Cu and ten Ga atoms. There are four shorter (3.30 Å) and two longer (3.35 Å) Pr–Cu bond lengths. There are a spread of Pr–Ga bond distances ranging from 3.26–3.35 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.46 Å. In the second Cu site, Cu is bonded to four equivalent Pr and eight Ga atoms to form distorted CuPr4Ga8 cuboctahedra that share corners with four equivalent CuPr4Ga8 cuboctahedra, faces with four equivalent CuPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Cu4 cuboctahedra. There are four shorter (2.52 Å) and four longer (3.02 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.46 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr, two equivalent Cu, and three Ga atoms. There are one shorter (2.51 Å) and two longer (2.52 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr, four Cu, and one Ga atom. In the third Ga site, Ga is bonded to four equivalent Pr, four equivalent Cu, and four equivalent Ga atoms to form GaPr4Ga4Cu4 cuboctahedra that share corners with four equivalent GaPr4Ga4Cu4 cuboctahedra, faces with four equivalent CuPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Cu4 cuboctahedra.

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Materials Data on Ba4Ga22Sn by Materials Project

Ba4Ga22Sn crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to thirteen Ga and one Sn atom. There are a spread of Ba–Ga bond distances ranging from 3.29–3.72 Å. The Ba–Sn bond length is 3.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Ba, three equivalent Ga, and one Sn atom. All Ga–Ga bond lengths are 2.57 Å. The Ga–Sn bond length is 2.69 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ba and four Ga atoms. The Ga–Ga bond length is 2.57 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ga atoms.

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Materials Data on Y2Ga3Ag by Materials Project

Y2AgGa3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ag and nine Ga atoms. All Y–Ag bond lengths are 3.02 Å. There are a spread of Y–Ga bond distances ranging from 3.03–3.43 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ag and nine Ga atoms. All Y–Ag bond lengths are 3.27 Å. There are a spread of Y–Ga bond distances ranging from 3.02–3.41 Å. Ag is bonded in a 10-coordinate geometry to six Y and four Ga atoms. There are three shorter (2.64 Å) and one longer (3.07 Å) Ag–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Y, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 3.06 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Y and four Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Y, one Ag, and three equivalent Ga atoms.

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Materials Data on MgGa by Materials Project

MgGa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.91–3.08 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are four shorter (2.98 Å) and two longer (3.16 Å) Mg–Ga bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to five Ga atoms. There are one shorter (2.88 Å) and four longer (2.97 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to five Mg and four Ga atoms. There are two shorter (2.90 Å) and two longer (2.92 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Mg and three Ga atoms. The Ga–Ga bond length is 2.80 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to seven Mg and three Ga atoms.

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Materials Data on Tm2Ga3Cu by Materials Project

Tm2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Tm–Cu bond lengths are 2.86 Å. There are a spread of Tm–Ga bond distances ranging from 2.95–3.37 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Tm–Cu bond lengths are 3.19 Å. There are six shorter (2.94 Å) and three longer (3.35 Å) Tm–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. There are three shorter (2.55 Å) and one longer (2.91 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 3.05 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Cu, and three equivalent Ga atoms.

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Materials Data on Er3Ga9Pt2 by Materials Project

Er3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share edges with two equivalent GaEr4Ga4Pt4 cuboctahedra and faces with two equivalent ErGa12 cuboctahedra. There are eight shorter (3.14 Å) and four longer (3.24 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Er–Pt bond lengths are 3.05 Å. There are a spread of Er–Ga bond distances ranging from 3.07–3.46 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Er and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.84 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Er, four equivalent Pt, and four equivalent Ga atoms to form GaEr4Ga4Pt4 cuboctahedra that share edges with two equivalent ErGa12 cuboctahedra and faces with two equivalent GaEr4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.68 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Er, two equivalent Pt, and four Ga atoms.

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Materials Data on Ho2Ga3Ni by Materials Project

Ho2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (3.15 Å) and two longer (3.20 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.98–3.25 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Ho–Ni bond lengths are 3.02 Å. There are a spread of Ho–Ga bond distances ranging from 2.99–3.36 Å. Ni is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.70 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Ni, and three Ga atoms. There are two shorter (2.61 Å) and one longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.66 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Ni, and three Ga atoms.

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Materials Data on Tb3Ga9Pt2 by Materials Project

Tb3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share edges with two equivalent GaTb4Ga4Pt4 cuboctahedra and faces with two equivalent TbGa12 cuboctahedra. There are eight shorter (3.17 Å) and four longer (3.22 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Tb–Pt bond lengths are 3.07 Å. There are a spread of Tb–Ga bond distances ranging from 3.08–3.41 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Tb and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.83 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tb, four equivalent Pt, and four equivalent Ga atoms to form GaTb4Ga4Pt4 cuboctahedra that share edges with two equivalent TbGa12 cuboctahedra and faces with two equivalent GaTb4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.73 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.70 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Tb, two equivalent Pt, and four Ga atoms.

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Materials Data on Dy2Ga3Co by Materials Project

Dy2CoGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (3.13 Å) and one longer (3.29 Å) Dy–Co bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.98–3.24 Å. In the second Dy site, Dy is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.04 Å) Dy–Co bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.98–3.41 Å. Co is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.44–2.73 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Co, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.93 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Co, and three Ga atoms.

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Materials Data on Lu2Ga3Ni by Materials Project

Lu2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (3.12 Å) and one longer (3.15 Å) Lu–Ni bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.94–3.18 Å. In the second Lu site, Lu is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.93 Å) and two longer (2.99 Å) Lu–Ni bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.95–3.33 Å. Ni is bonded in a 10-coordinate geometry to six Lu and four Ga atoms. There are three shorter (2.44 Å) and one longer (2.63 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, one Ni, and three Ga atoms. There are two shorter (2.57 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.62 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, one Ni, and three Ga atoms.

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Materials Data on Eu2MgGa3 by Materials Project

MgEu2Ga3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six Eu and four Ga atoms. There are a spread of Mg–Eu bond distances ranging from 3.23–3.50 Å. There are a spread of Mg–Ga bond distances ranging from 2.76–2.89 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to three equivalent Mg and nine Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.19–3.44 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to three equivalent Mg and nine Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.20–3.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Mg, six Eu, and three Ga atoms. There are two shorter (2.72 Å) and one longer (2.88 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg, six Eu, and two Ga atoms. The Ga–Ga bond length is 2.64 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Mg, six Eu, and three Ga atoms.

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Materials Data on Nd(GaFe)6 by Materials Project

Nd(FeGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to twelve Fe and eight Ga atoms. There are four shorter (3.28 Å) and eight longer (3.31 Å) Nd–Fe bond lengths. There are a spread of Nd–Ga bond distances ranging from 2.88–3.03 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd, four Fe, and six Ga atoms to form a mixture of distorted edge, face, and corner-sharing FeNd2Ga6Fe4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.53 Å) Fe–Fe bond lengths. There are a spread of Fe–Ga bond distances ranging from 2.54–2.63 Å. In the second Fe site, Fe is bonded to two equivalent Nd, four equivalent Fe, and six Ga atoms to form a mixture of edge, face, and corner-sharing FeNd2Ga6Fe4 cuboctahedra. There are a spread of Fe–Ga bond distances ranging from 2.58–2.67 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Nd, six Fe, and three Ga atoms. There are one shorter (2.84 Å) and two longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Nd, six Fe, and three Ga atoms. There are one shorter (2.67 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Nd, six Fe, and four Ga atoms.

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Materials Data on Sm2Ga5Cu3 by Materials Project

Sm2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six Cu and ten Ga atoms. There are four shorter (3.27 Å) and two longer (3.36 Å) Sm–Cu bond lengths. There are a spread of Sm–Ga bond distances ranging from 3.21–3.36 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.45 Å. In the second Cu site, Cu is bonded to four equivalent Sm and eight Ga atoms to form distorted CuSm4Ga8 cuboctahedra that share corners with four equivalent CuSm4Ga8 cuboctahedra, faces with four equivalent CuSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Cu4 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.98 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.45 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm, two equivalent Cu, and three Ga atoms. There are one shorter (2.48 Å) and two longer (2.53 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm, four Cu, and one Ga atom. In the third Ga site, Ga is bonded to four equivalent Sm, four equivalent Cu, and four equivalent Ga atoms to form GaSm4Ga4Cu4 cuboctahedra that share corners with four equivalent GaSm4Ga4Cu4 cuboctahedra, faces with four equivalent CuSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Cu4 cuboctahedra.

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