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DOE OSTI2020

Materials Data on Tm3Ga5Ni by Materials Project

Tm3NiGa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to one Ni and ten Ga atoms. The Tm–Ni bond length is 2.79 Å. There are four shorter (2.94 Å) and six longer (3.20 Å) Tm–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm, two equivalent Ni, and four Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaTm6Ga4Ni2 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ga atoms.

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Materials Data on SmGa6 by Materials Project

SmGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Sm is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing SmGa12 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.27 Å) Sm–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Sm and three Ga atoms. The Ga–Ga bond length is 2.49 Å.

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Materials Data on PuGaRh by Materials Project

PuRhGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 5-coordinate geometry to five Rh and six Ga atoms. There are four shorter (2.87 Å) and one longer (2.88 Å) Pu–Rh bond lengths. There are two shorter (3.07 Å) and four longer (3.19 Å) Pu–Ga bond lengths. In the second Pu site, Pu is bonded in a 5-coordinate geometry to five Rh and six Ga atoms. There are two shorter (2.87 Å) and three longer (2.88 Å) Pu–Rh bond lengths. There are two shorter (3.06 Å) and four longer (3.19 Å) Pu–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Pu and three Ga atoms. There are two shorter (2.66 Å) and one longer (2.67 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three Pu and six Ga atoms. All Rh–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to six Pu and four Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to six Pu and four Rh atoms.

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Materials Data on YGa3Cu by Materials Project

YCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Y–Cu bond lengths are 3.38 Å. There are eight shorter (3.14 Å) and four longer (3.38 Å) Y–Ga bond lengths. Cu is bonded to four equivalent Y and eight Ga atoms to form distorted CuY4Ga8 cuboctahedra that share corners with four equivalent GaY4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuY4Ga8 cuboctahedra, edges with two equivalent GaY4Ga4Cu4 cuboctahedra, faces with four equivalent CuY4Ga8 cuboctahedra, and faces with four equivalent GaY4Ga4Cu4 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.89 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Cu, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.52 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Y, four equivalent Cu, and four equivalent Ga atoms to form GaY4Ga4Cu4 cuboctahedra that share corners with four equivalent CuY4Ga8 cuboctahedra, corners with twelve equivalent GaY4Ga4Cu4 cuboctahedra, edges with two equivalent CuY4Ga8 cuboctahedra, faces with four equivalent CuY4Ga8 cuboctahedra, and faces with four equivalent GaY4Ga4Cu4 cuboctahedra.

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Materials Data on DyMnGa by Materials Project

DyMnGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Dy–Mn bond lengths. There are one shorter (2.94 Å) and four longer (2.97 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are a spread of Dy–Mn bond distances ranging from 3.22–3.29 Å. There are a spread of Dy–Ga bond distances ranging from 2.94–2.98 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Dy, two equivalent Mn, and four Ga atoms. Both Mn–Mn bond lengths are 2.94 Å. There are two shorter (2.68 Å) and two longer (2.77 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Dy, two Mn, and four Ga atoms. The Mn–Mn bond length is 2.93 Å. There are two shorter (2.67 Å) and two longer (2.77 Å) Mn–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Dy and three Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three Dy and six Mn atoms.

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Materials Data on CeGa3Pd by Materials Project

CePdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.29–3.66 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.41 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ce and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.54 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Ce, two equivalent Pd, and two equivalent Ga atoms.

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Materials Data on NdGa3Pt by Materials Project

NdPtGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Ga atoms. All Nd–Pt bond lengths are 3.43 Å. There are eight shorter (3.23 Å) and four longer (3.43 Å) Nd–Ga bond lengths. Pt is bonded to four equivalent Nd and eight Ga atoms to form distorted PtNd4Ga8 cuboctahedra that share corners with four equivalent GaNd4Ga4Pt4 cuboctahedra, corners with twelve equivalent PtNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga4Pt4 cuboctahedra, faces with four equivalent PtNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pt4 cuboctahedra. There are four shorter (2.57 Å) and four longer (2.98 Å) Pt–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Pt, and three Ga atoms. There are one shorter (2.49 Å) and two longer (2.57 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Nd, four equivalent Pt, and four equivalent Ga atoms to form GaNd4Ga4Pt4 cuboctahedra that share corners with four equivalent PtNd4Ga8 cuboctahedra, corners with twelve equivalent GaNd4Ga4Pt4 cuboctahedra, edges with two equivalent PtNd4Ga8 cuboctahedra, faces with four equivalent PtNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pt4 cuboctahedra.

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Materials Data on InGa3 by Materials Project

InGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In is bonded to twelve Ga atoms to form a mixture of face and corner-sharing InGa12 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.19 Å) In–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent In and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.97–3.21 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent In and eight Ga atoms. Both Ga–Ga bond lengths are 3.12 Å.

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Materials Data on Er4Ga12Pd by Materials Project

Er4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share corners with twelve equivalent ErGa12 cuboctahedra, edges with twelve equivalent GaEr4Ga8 cuboctahedra, faces with six equivalent ErGa12 cuboctahedra, faces with six equivalent GaEr4Ga8 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.05 Å) and six longer (3.07 Å) Er–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share corners with twenty-four equivalent GaEr4Ga8 cuboctahedra and faces with eight equivalent ErGa12 cuboctahedra. All Pd–Ga bond lengths are 2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Er and eight Ga atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent GaEr4Ga8 cuboctahedra, corners with four equivalent PdGa6 octahedra, edges with eight equivalent ErGa12 cuboctahedra, edges with eight equivalent GaEr4Ga8 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with six equivalent GaEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.78 Å) and four longer (3.05 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Er, one Pd, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
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Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg5Ga7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.92–3.19 Å. There are a spread of Mg–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.88–3.01 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and six Ga atoms. The Ga–Ga bond length is 2.85 Å.

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Materials Data on Tb2Ga3Co14 by Materials Project

Tb2Co14Ga3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to thirteen Co and six equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 3.02–3.28 Å. There are three shorter (3.14 Å) and three longer (3.21 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 1-coordinate geometry to sixteen Co and three equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.93–3.32 Å. All Tb–Ga bond lengths are 3.06 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to one Tb, ten Co, and three equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.67 Å. All Co–Ga bond lengths are 2.66 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Tb and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.54–2.67 Å. In the third Co site, Co is bonded to two Tb, eight Co, and two equivalent Ga atoms to form distorted CoTb2Ga2Co8 cuboctahedra that share corners with five equivalent GaTb3Co9 cuboctahedra, corners with nine CoTb2Ga2Co8 cuboctahedra, edges with three equivalent CoTb3Ga2Co7 cuboctahedra, edges with three equivalent GaTb3Co9 cuboctahedra, faces with three equivalent GaTb3Co9 cuboctahedra, and faces with seven CoTb2Ga2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.41 Å. Both Co–Ga bond lengths are 2.46 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two Tb, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.40–2.63 Å. There are one shorter (2.55 Å) and one longer (2.60 Å) Co–Ga bond lengths. In the fifth Co site, Co is bonded to three Tb, seven Co, and two equivalent Ga atoms to form distorted CoTb3Ga2Co7 cuboctahedra that share corners with seven CoTb2Ga2Co8 cuboctahedra, corners with eight equivalent GaTb3Co9 cuboctahedra, an edgeedge with one GaTb3Co9 cuboctahedra, edges with seven CoTb2Ga2Co8 cuboctahedra, faces with three equivalent GaTb3Co9 cuboctahedra, and faces with seven CoTb2Ga2Co8 cuboctahedra. Both Co–Ga bond lengths are 2.48 Å. Ga is bonded to three Tb and nine Co atoms to form GaTb3Co9 cuboctahedra that share corners with two equivalent GaTb3Co9 cuboctahedra, corners with thirteen CoTb2Ga2Co8 cuboctahedra, edges with four CoTb2Ga2Co8 cuboctahedra, edges with four equivalent GaTb3Co9 cuboctahedra, faces with four equivalent GaTb3Co9 cuboctahedra, and faces with six CoTb2Ga2Co8 cuboctahedra.

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Materials Data on Hf3Ga3Pd2Pt by Materials Project

Hf3PtPd2Ga3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.86 Å. There are two shorter (2.78 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.77 Å. There are two shorter (2.86 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. Pt is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.69 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.59 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six Hf, one Pt, and three Pd atoms.

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Materials Data on Lu4Ga12Pd by Materials Project

Lu4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to twelve Ga atoms to form LuGa12 cuboctahedra that share corners with twelve equivalent LuGa12 cuboctahedra, edges with twelve equivalent GaLu4Ga8 cuboctahedra, faces with six equivalent LuGa12 cuboctahedra, faces with six equivalent GaLu4Ga8 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) Lu–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share corners with twenty-four equivalent GaLu4Ga8 cuboctahedra and faces with eight equivalent LuGa12 cuboctahedra. All Pd–Ga bond lengths are 2.53 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Lu and eight Ga atoms to form distorted GaLu4Ga8 cuboctahedra that share corners with four equivalent GaLu4Ga8 cuboctahedra, corners with four equivalent PdGa6 octahedra, edges with eight equivalent LuGa12 cuboctahedra, edges with eight equivalent GaLu4Ga8 cuboctahedra, faces with four equivalent LuGa12 cuboctahedra, and faces with six equivalent GaLu4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.77 Å) and four longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Lu, one Pd, and four equivalent Ga atoms.

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Materials Data on Hf(GaNi4)3 by Materials Project

Hf(Ni4Ga)3 is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Ni atoms to form HfNi12 cuboctahedra that share corners with four equivalent HfNi12 cuboctahedra, corners with eight equivalent GaNi12 cuboctahedra, edges with twenty-four NiHf2Ga2Ni8 cuboctahedra, faces with two equivalent GaNi12 cuboctahedra, faces with four equivalent HfNi12 cuboctahedra, and faces with eight equivalent NiHf2Ga2Ni8 cuboctahedra. There are four shorter (2.57 Å) and eight longer (2.63 Å) Hf–Ni bond lengths. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted square co-planar geometry to four equivalent Hf and eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.63 Å. In the second Ni site, Ni is bonded to eight Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with eight NiGa4Ni8 cuboctahedra, edges with four equivalent HfNi12 cuboctahedra, edges with four equivalent GaNi12 cuboctahedra, edges with sixteen NiHf2Ga2Ni8 cuboctahedra, faces with four equivalent GaNi12 cuboctahedra, and faces with thirteen NiGa4Ni8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.52 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.57 Å. In the third Ni site, Ni is bonded to eight equivalent Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with twelve NiGa4Ni8 cuboctahedra, edges with eight equivalent GaNi12 cuboctahedra, edges with sixteen equivalent NiGa4Ni8 cuboctahedra, faces with four equivalent GaNi12 cuboctahedra, and faces with fourteen NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. All Ni–Ga bond lengths are 2.57 Å. In the fourth Ni site, Ni is bonded to two equivalent Hf, eight Ni, and two equivalent Ga atoms to form distorted NiHf2Ga2Ni8 cuboctahedra that share corners with twelve NiHf2Ga2Ni8 cuboctahedra, edges with four equivalent HfNi12 cuboctahedra, edges with four equivalent GaNi12 cuboctahedra, edges with twelve NiGa4Ni8 cuboctahedra, faces with two equivalent HfNi12 cuboctahedra, faces with two equivalent GaNi12 cuboctahedra, and faces with twelve NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. Both Ni–Ga bond lengths are 2.52 Å. In the fifth Ni site, Ni is bonded to eight Ni and four Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with twelve NiHf2Ga2Ni8 cuboctahedra, edges with eight GaNi12 cuboctahedra, edges with sixteen NiGa4Ni8 cuboctahedra, faces with four GaNi12 cuboctahedra, and faces with fourteen NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. There are two shorter (2.51 Å) and two longer (2.52 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to twelve Ni atoms to form GaNi12 cuboctahedra that share corners with four equivalent HfNi12 cuboctahedra, corners with eight GaNi12 cuboctahedra, edges with twenty NiHf2Ga2Ni8 cuboctahedra, a faceface with one HfNi12 cuboctahedra, faces with five GaNi12 cuboctahedra, and faces with twelve NiGa4Ni8 cuboctahedra. In the second Ga site, Ga is bonded to twelve Ni atoms to form GaNi12 cuboctahedra that share corners with twelve GaNi12 cuboctahedra, edges with twenty-four NiGa4Ni8 cuboctahedra, faces with six GaNi12 cuboctahedra, and faces with twelve NiGa4Ni8 cuboctahedra.

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Materials Data on Ga9Ir2 by Materials Project

Ir2Ga9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.47–2.69 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted linear geometry to two equivalent Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms.

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Materials Data on U4Ga12Ni by Materials Project

U4NiGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with twelve equivalent UGa12 cuboctahedra, edges with twelve equivalent GaU4Ga8 cuboctahedra, faces with six equivalent UGa12 cuboctahedra, faces with six equivalent GaU4Ga8 cuboctahedra, and faces with two equivalent NiGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) U–Ga bond lengths. Ni is bonded to six equivalent Ga atoms to form NiGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Ni–Ga bond lengths are 2.44 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, corners with four equivalent NiGa6 octahedra, edges with eight equivalent UGa12 cuboctahedra, edges with eight equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with six equivalent GaU4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.83 Å) and four longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent U, one Ni, and four equivalent Ga atoms.

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Materials Data on TmGa6 by Materials Project

TmGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form a mixture of edge and face-sharing TmGa12 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.24 Å) Tm–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Tm and five Ga atoms. There are one shorter (2.41 Å) and four longer (2.60 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Tm and three Ga atoms. The Ga–Ga bond length is 2.51 Å.

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Materials Data on CeGa3Cu by Materials Project

CeCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Ce–Cu bond lengths are 3.34 Å. There are eight shorter (3.24 Å) and four longer (3.34 Å) Ce–Ga bond lengths. Cu is bonded to four equivalent Ce and eight Ga atoms to form distorted CuCe4Ga8 cuboctahedra that share corners with four equivalent GaCe4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuCe4Ga8 cuboctahedra, edges with two equivalent GaCe4Ga4Cu4 cuboctahedra, faces with four equivalent CuCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Cu4 cuboctahedra. There are four shorter (2.51 Å) and four longer (3.00 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Cu, and three Ga atoms. There are one shorter (2.45 Å) and two longer (2.51 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce, four equivalent Cu, and four equivalent Ga atoms to form GaCe4Ga4Cu4 cuboctahedra that share corners with four equivalent CuCe4Ga8 cuboctahedra, corners with twelve equivalent GaCe4Ga4Cu4 cuboctahedra, edges with two equivalent CuCe4Ga8 cuboctahedra, faces with four equivalent CuCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Cu4 cuboctahedra.

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