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DOE OSTI2020

Materials Data on Hf2Ga3Cu by Materials Project

Hf2CuGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (3.02 Å) and one longer (3.08 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.85–3.20 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (2.90 Å) and one longer (2.95 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.87–3.28 Å. Cu is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.40–2.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms.

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Materials Data on Cs8Ga11 by Materials Project

Cs8Ga11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to two equivalent Cs and seven Ga atoms. There are one shorter (4.41 Å) and one longer (4.45 Å) Cs–Cs bond lengths. There are a spread of Cs–Ga bond distances ranging from 3.75–4.29 Å. In the second Cs site, Cs is bonded in a 3-coordinate geometry to six equivalent Cs and nine Ga atoms. There are a spread of Cs–Ga bond distances ranging from 3.98–4.32 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Cs and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.96 Å. In the second Ga site, Ga is bonded to six equivalent Cs and six Ga atoms to form a mixture of distorted edge and face-sharing GaCs6Ga6 cuboctahedra. All Ga–Ga bond lengths are 2.72 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Cs and four Ga atoms. The Ga–Ga bond length is 2.79 Å.

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Materials Data on ErGa4Ni by Materials Project

ErNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Er–Ni bond lengths are 3.12 Å. There are a spread of Er–Ga bond distances ranging from 2.89–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Er and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Er and six Ga atoms. There are two shorter (2.82 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 Er, 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 Er, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.93 Å) Ga–Ga bond lengths.

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Materials Data on Sm2Ga3Ni by Materials Project

Sm2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (3.18 Å) and two longer (3.25 Å) Sm–Ni bond lengths. There are a spread of Sm–Ga bond distances ranging from 3.00–3.28 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (3.04 Å) and one longer (3.06 Å) Sm–Ni bond lengths. There are a spread of Sm–Ga bond distances ranging from 3.03–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Sm and four Ga atoms. There are three shorter (2.49 Å) and one longer (2.80 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 Sm, one Ni, and three Ga atoms. There are two shorter (2.61 Å) and one longer (2.95 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Sm, 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 Sm, one Ni, and three Ga atoms.

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Materials Data on Y3Ga9Cu2 by Materials Project

Y3Cu2Ga9 crystallizes in the orthorhombic Immm 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 two equivalent Cu and ten Ga atoms. Both Y–Cu bond lengths are 3.08 Å. There are two shorter (3.07 Å) and eight longer (3.12 Å) Y–Ga bond lengths. In the second Y site, Y is bonded to twelve Ga atoms to form distorted YGa12 cuboctahedra that share edges with two equivalent GaY4Ga4Cu4 cuboctahedra and faces with two equivalent YGa12 cuboctahedra. There are eight shorter (3.13 Å) and four longer (3.22 Å) Y–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to two equivalent Y and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.50–2.99 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four Y, one Cu, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.71 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to three Y, two equivalent Cu, and four Ga atoms. The Ga–Ga bond length is 2.74 Å. In the third Ga site, Ga is bonded to four equivalent Y, four equivalent Cu, and four equivalent Ga atoms to form GaY4Ga4Cu4 cuboctahedra that share edges with two equivalent YGa12 cuboctahedra and faces with two equivalent GaY4Ga4Cu4 cuboctahedra.

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Materials Data on Zr(GaFe)6 by Materials Project

Zr(FeGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Zr is bonded to twelve Fe and eight Ga atoms to form distorted ZrGa8Fe12 hexagonal bipyramids that share corners with eight equivalent ZrGa8Fe12 hexagonal bipyramids, faces with twenty-four FeZr2Ga6Fe4 cuboctahedra, and faces with two equivalent ZrGa8Fe12 hexagonal bipyramids. There are four shorter (3.24 Å) and eight longer (3.26 Å) Zr–Fe bond lengths. There are two shorter (2.79 Å) and six longer (2.93 Å) Zr–Ga bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Zr, four equivalent Fe, and six Ga atoms to form distorted FeZr2Ga6Fe4 cuboctahedra that share corners with fourteen FeZr2Ga6Fe4 cuboctahedra, edges with seven FeZr2Ga6Fe4 cuboctahedra, faces with nine FeZr2Ga6Fe4 cuboctahedra, and faces with four equivalent ZrGa8Fe12 hexagonal bipyramids. All Fe–Fe bond lengths are 2.49 Å. There are a spread of Fe–Ga bond distances ranging from 2.56–2.61 Å. In the second Fe site, Fe is bonded to two equivalent Zr, four Fe, and six Ga atoms to form distorted FeZr2Ga6Fe4 cuboctahedra that share corners with fourteen FeZr2Ga6Fe4 cuboctahedra, edges with six FeZr2Ga6Fe4 cuboctahedra, faces with ten FeZr2Ga6Fe4 cuboctahedra, and faces with four equivalent ZrGa8Fe12 hexagonal bipyramids. Both Fe–Fe bond lengths are 2.50 Å. There are two shorter (2.54 Å) and four longer (2.58 Å) Fe–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to one Zr, six Fe, and one Ga atom. The Ga–Ga bond length is 2.88 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Zr, six Fe, and three Ga atoms. There are one shorter (2.73 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Zr, six Fe, and two equivalent Ga atoms.

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Materials Data on Zr3Ga5 by Materials Project

Ga5Zr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.84–3.07 Å. In the second Zr site, Zr is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.72–3.12 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Zr and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–3.06 Å. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five Zr and six Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. The Ga–Ga bond length is 2.79 Å.

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Materials Data on Tm3Ga9Pt2 by Materials Project

Tm3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted TmGa12 cuboctahedra that share edges with two equivalent GaTm4Ga4Pt4 cuboctahedra and faces with two equivalent TmGa12 cuboctahedra. There are eight shorter (3.12 Å) and four longer (3.26 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Tm–Pt bond lengths are 3.04 Å. There are a spread of Tm–Ga bond distances ranging from 3.08–3.50 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Tm and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.58–2.87 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tm, four equivalent Pt, and four equivalent Ga atoms to form GaTm4Ga4Pt4 cuboctahedra that share edges with two equivalent TmGa12 cuboctahedra and faces with two equivalent GaTm4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.66 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Tm, two equivalent Pt, and four Ga atoms.

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Materials Data on Er10Ga5Co by Materials Project

Er10CoGa5 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to five Ga atoms to form distorted ErGa5 trigonal bipyramids that share corners with ten ErGa5 trigonal bipyramids, edges with four equivalent ErGa4Co trigonal bipyramids, and a faceface with one ErGa5 trigonal bipyramid. There are a spread of Er–Ga bond distances ranging from 3.01–3.12 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to one Co and four Ga atoms. The Er–Co bond length is 2.96 Å. There are two shorter (3.05 Å) and two longer (3.11 Å) Er–Ga bond lengths. In the third Er site, Er is bonded to one Co and four Ga atoms to form distorted ErGa4Co trigonal bipyramids that share corners with eight ErGa5 trigonal bipyramids, edges with five ErGa5 trigonal bipyramids, and a faceface with one ErGa4Co trigonal bipyramid. The Er–Co bond length is 2.92 Å. There are a spread of Er–Ga bond distances ranging from 2.96–3.21 Å. In the fourth Er site, Er is bonded in a 4-coordinate geometry to one Co and five Ga atoms. The Er–Co bond length is 2.87 Å. There are a spread of Er–Ga bond distances ranging from 2.98–3.46 Å. Co is bonded in a 9-coordinate geometry to eight Er and one Ga atom. The Co–Ga bond length is 2.63 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Er atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Er and one Co atom. In the third Ga site, Ga is bonded in a 9-coordinate geometry to eight Er and one Ga atom. The Ga–Ga bond length is 2.63 Å.

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Materials Data on Cs8Ga11Cl by Materials Project

Cs8Ga11Cl crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to seven Ga and one Cl atom. There are a spread of Cs–Ga bond distances ranging from 3.77–4.28 Å. The Cs–Cl bond length is 3.56 Å. In the second Cs site, Cs is bonded in a 1-coordinate geometry to nine Ga and one Cl atom. There are a spread of Cs–Ga bond distances ranging from 3.98–4.35 Å. The Cs–Cl bond length is 3.82 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Cs and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.69–2.97 Å. In the second Ga site, Ga is bonded to six equivalent Cs and six Ga atoms to form a mixture of distorted edge and face-sharing GaCs6Ga6 cuboctahedra. All Ga–Ga bond lengths are 2.71 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Cs and four Ga atoms. The Ga–Ga bond length is 2.78 Å. Cl is bonded in a body-centered cubic geometry to eight Cs atoms.

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Materials Data on Lu3Ga9Pd2 by Materials Project

Lu3Pd2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to twelve Ga atoms to form LuGa12 cuboctahedra that share edges with two equivalent GaLu4Ga4Pd4 cuboctahedra and faces with two equivalent LuGa12 cuboctahedra. There are eight shorter (3.13 Å) and four longer (3.17 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 10-coordinate geometry to two equivalent Pd and twelve Ga atoms. Both Lu–Pd bond lengths are 3.02 Å. There are a spread of Lu–Ga bond distances ranging from 3.06–3.35 Å. Pd is bonded in a 10-coordinate geometry to two equivalent Lu and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.61–2.75 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Lu, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.71 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Lu, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.50 Å. In the third Ga site, Ga is bonded to four equivalent Lu, four equivalent Pd, and four equivalent Ga atoms to form distorted GaLu4Ga4Pd4 cuboctahedra that share edges with two equivalent LuGa12 cuboctahedra and faces with two equivalent GaLu4Ga4Pd4 cuboctahedra.

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Materials Data on La2Ga5Cu3 by Materials Project

La2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six Cu and ten Ga atoms. There are four shorter (3.33 Å) and two longer (3.37 Å) La–Cu bond lengths. There are a spread of La–Ga bond distances ranging from 3.30–3.37 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.49 Å. In the second Cu site, Cu is bonded to four equivalent La and eight Ga atoms to form distorted CuLa4Ga8 cuboctahedra that share corners with four equivalent CuLa4Ga8 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra. There are four shorter (2.55 Å) and four longer (3.06 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Cu, and three Ga atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La, four Cu, and one Ga atom. In the third Ga site, Ga is bonded to four equivalent La, four equivalent Cu, and four equivalent Ga atoms to form GaLa4Ga4Cu4 cuboctahedra that share corners with four equivalent GaLa4Ga4Cu4 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra.

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Materials Data on Zr2Ga3Cu by Materials Project

Zr2CuGa3 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 Cu and nine Ga atoms. There are one shorter (3.05 Å) and two longer (3.07 Å) Zr–Cu bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.87–3.18 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (2.91 Å) and one longer (2.98 Å) Zr–Cu bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.90–3.27 Å. Cu is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.40–2.64 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Cu, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Cu, and three Ga atoms.

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Materials Data on Y2Ga2Co15 by Materials Project

Y2Co15Ga2 crystallizes in the orthorhombic Cmcm 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 eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.94–3.25 Å. In the second Y site, Y is bonded in a 2-coordinate geometry to eighteen Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 3.01–3.16 Å. Both Y–Ga bond lengths are 2.83 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to three Y, eight Co, and one Ga atom to form a mixture of distorted face, edge, and corner-sharing CoY3GaCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.55 Å. The Co–Ga bond length is 2.66 Å. In the second Co site, Co is bonded to three Y, eight Co, and one Ga atom to form a mixture of distorted face, edge, and corner-sharing CoY3GaCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.56 Å. The Co–Ga bond length is 2.66 Å. In the third Co site, Co is bonded to two equivalent Y, eight Co, and two equivalent Ga atoms to form CoY2Ga2Co8 cuboctahedra that share corners with twenty-two CoY3GaCo8 cuboctahedra, edges with ten CoY2Ga2Co8 cuboctahedra, and faces with eighteen CoY3GaCo8 cuboctahedra. All Co–Co bond lengths are 2.42 Å. Both Co–Ga bond lengths are 2.53 Å. In the fourth Co site, Co is bonded to two equivalent Y, eight Co, and two equivalent Ga atoms to form a mixture of face, edge, and corner-sharing CoY2Ga2Co8 cuboctahedra. All Co–Co bond lengths are 2.42 Å. Both Co–Ga bond lengths are 2.54 Å. In the fifth Co site, Co is bonded to two Y, eight Co, and two equivalent Ga atoms to form distorted CoY2Ga2Co8 cuboctahedra that share corners with twenty-four CoY3GaCo8 cuboctahedra, edges with five CoY2Ga2Co8 cuboctahedra, and faces with twenty-one CoY3GaCo8 cuboctahedra. There are one shorter (2.35 Å) and one longer (2.50 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.73 Å. In the sixth Co site, Co is bonded to two Y, eight Co, and two equivalent Ga atoms to form distorted CoY2Ga2Co8 cuboctahedra that share corners with twenty-four CoY3GaCo8 cuboctahedra, edges with five CoY2Ga2Co8 cuboctahedra, and faces with twenty-one CoY3GaCo8 cuboctahedra. There are one shorter (2.34 Å) and one longer (2.50 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.73 Å. In the seventh Co site, Co is bonded to two Y, eight Co, and two equivalent Ga atoms to form distorted CoY2Ga2Co8 cuboctahedra that share corners with twenty-four CoY3GaCo8 cuboctahedra, edges with five CoY2Ga2Co8 cuboctahedra, and faces with twenty-one CoY3GaCo8 cuboctahedra. Both Co–Ga bond lengths are 2.73 Å. Ga is bonded in a 4-coordinate geometry to one Y, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.51 Å.

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Materials Data on Dy3Ga9Pt2 by Materials Project

Dy3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Ga atoms to form distorted DyGa12 cuboctahedra that share edges with two equivalent GaDy4Ga4Pt4 cuboctahedra and faces with two equivalent DyGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.26 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Dy–Pt bond lengths are 3.08 Å. There are a spread of Dy–Ga bond distances ranging from 3.09–3.50 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Dy and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.89 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Dy, four equivalent Pt, and four equivalent Ga atoms to form GaDy4Ga4Pt4 cuboctahedra that share edges with two equivalent DyGa12 cuboctahedra and faces with two equivalent GaDy4Ga4Pt4 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 Dy, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.69 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Dy, two equivalent Pt, and four Ga atoms.

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Materials Data on Er2Ga3Cu by Materials Project

Er2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 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 Cu and nine Ga atoms. All Er–Cu bond lengths are 2.87 Å. There are a spread of Er–Ga bond distances ranging from 2.96–3.38 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Er–Cu bond lengths are 3.20 Å. There are six shorter (2.95 Å) and three longer (3.36 Å) Er–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six Er and four Ga atoms. There are three shorter (2.55 Å) and one longer (2.94 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 Er, 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 Er and four Ga atoms. All Ga–Ga bond lengths are 2.61 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Er, one Cu, and three equivalent Ga atoms.

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Materials Data on Tm2Ga3Ni by Materials Project

Tm2NiGa3 crystallizes in the monoclinic Cm 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 Ni and nine Ga atoms. All Tm–Ni bond lengths are 3.16 Å. There are a spread of Tm–Ga bond distances ranging from 2.96–3.23 Å. In the second Tm site, Tm is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.96 Å) and two longer (3.01 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.97–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.67 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Ni, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, two equivalent Ni, 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 Tm, one Ni, and three Ga atoms.

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Materials Data on TmGa4Ni by Materials Project

TmNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Tm–Ni bond lengths are 3.11 Å. There are a spread of Tm–Ga bond distances ranging from 2.88–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm 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 Tm and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.84 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Tm, 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 Tm, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.92 Å) Ga–Ga bond lengths.

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