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At least 1,117 records · Page 62
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DOE OSTI2020

Materials Data on Lu4Ga12Ni by Materials Project

Lu4NiGa12 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 NiGa6 octahedra. There are six shorter (3.01 Å) and six longer (3.03 Å) Lu–Ga bond lengths. Ni is bonded to six equivalent Ga atoms to form NiGa6 octahedra that share corners with twenty-four equivalent GaLu4Ga8 cuboctahedra and faces with eight equivalent LuGa12 cuboctahedra. All Ni–Ga bond lengths are 2.46 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 NiGa6 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 50°. There are four shorter (2.79 Å) and four longer (3.01 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Lu, one Ni, and four equivalent Ga atoms.

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Materials Data on Ho4Ga12Fe by Materials Project

Ho4FeGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent HoGa12 cuboctahedra, edges with twelve equivalent GaHo4Ga8 cuboctahedra, faces with six equivalent HoGa12 cuboctahedra, faces with six equivalent GaHo4Ga8 cuboctahedra, and faces with two equivalent FeGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.04 Å) Ho–Ga bond lengths. Fe is bonded to six equivalent Ga atoms to form FeGa6 octahedra that share corners with twenty-four equivalent GaHo4Ga8 cuboctahedra and faces with eight equivalent HoGa12 cuboctahedra. All Fe–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent GaHo4Ga8 cuboctahedra, corners with four equivalent FeGa6 octahedra, edges with eight equivalent HoGa12 cuboctahedra, edges with eight equivalent GaHo4Ga8 cuboctahedra, faces with four equivalent HoGa12 cuboctahedra, and faces with six equivalent GaHo4Ga8 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 5-coordinate geometry to four equivalent Ho, one Fe, and four equivalent Ga atoms.

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Materials Data on YbGa4 by Materials Project

YbGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Yb–Ga bond distances ranging from 3.23–3.52 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Yb and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.48–2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Yb and five Ga atoms. The Ga–Ga bond length is 2.84 Å.

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Materials Data on PrGa3Pd by Materials Project

PrPdGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Pr–Pd bond lengths are 3.45 Å. There are eight shorter (3.26 Å) and four longer (3.45 Å) Pr–Ga bond lengths. Pd is bonded to four equivalent Pr and eight Ga atoms to form distorted PdPr4Ga8 cuboctahedra that share corners with four equivalent GaPr4Ga4Pd4 cuboctahedra, corners with twelve equivalent PdPr4Ga8 cuboctahedra, edges with two equivalent GaPr4Ga4Pd4 cuboctahedra, faces with four equivalent PdPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Pd4 cuboctahedra. There are four shorter (2.58 Å) and four longer (3.01 Å) Pd–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 Pr, two equivalent Pd, and three Ga atoms. There are one shorter (2.50 Å) and two longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Pr, four equivalent Pd, and four equivalent Ga atoms to form GaPr4Ga4Pd4 cuboctahedra that share corners with four equivalent PdPr4Ga8 cuboctahedra, corners with twelve equivalent GaPr4Ga4Pd4 cuboctahedra, edges with two equivalent PdPr4Ga8 cuboctahedra, faces with four equivalent PdPr4Ga8 cuboctahedra, and faces with four equivalent GaPr4Ga4Pd4 cuboctahedra.

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Materials Data on DyGa6 by Materials Project

DyGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Dy is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing DyGa12 cuboctahedra. There are four shorter (3.11 Å) and eight longer (3.24 Å) Dy–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 Dy and five Ga atoms. There are one shorter (2.43 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 Dy and three Ga atoms. The Ga–Ga bond length is 2.50 Å.

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Materials Data on CeY(GaPd2)2 by Materials Project

CeY(Pd2Ga)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eight Pd and three equivalent Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.04–3.28 Å. There are a spread of Ce–Ga bond distances ranging from 3.05–3.12 Å. Y is bonded in a 11-coordinate geometry to eight Pd and three equivalent Ga atoms. There are a spread of Y–Pd bond distances ranging from 3.05–3.27 Å. There are a spread of Y–Ga bond distances ranging from 3.05–3.11 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Y, and three Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.65 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Y, and three Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Ce and six Pd atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Y and six Pd atoms.

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Materials Data on MgGa by Materials Project

MgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form distorted corner-sharing MgGa4 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.04 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.11 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.93–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to eight Mg atoms. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Mg atoms.

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Materials Data on NdGa3Cu by Materials Project

NdCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Nd–Cu bond lengths are 3.38 Å. There are eight shorter (3.22 Å) and four longer (3.38 Å) Nd–Ga bond lengths. Cu is bonded to four equivalent Nd and eight Ga atoms to form distorted CuNd4Ga8 cuboctahedra that share corners with four equivalent GaNd4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga4Cu4 cuboctahedra, faces with four equivalent CuNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Cu4 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.97 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 Nd, two equivalent Cu, and three Ga atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Nd, four equivalent Cu, and four equivalent Ga atoms to form GaNd4Ga4Cu4 cuboctahedra that share corners with four equivalent CuNd4Ga8 cuboctahedra, corners with twelve equivalent GaNd4Ga4Cu4 cuboctahedra, edges with two equivalent CuNd4Ga8 cuboctahedra, faces with four equivalent CuNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Cu4 cuboctahedra.

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Materials Data on Dy4Ga12Ni by Materials Project

Dy4NiGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded to twelve Ga atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent DyGa12 cuboctahedra, edges with twelve equivalent GaDy4Ga8 cuboctahedra, faces with six equivalent DyGa12 cuboctahedra, faces with six equivalent GaDy4Ga8 cuboctahedra, and faces with two equivalent NiGa6 octahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Dy–Ga bond lengths. Ni is bonded to six equivalent Ga atoms to form NiGa6 octahedra that share corners with twenty-four equivalent GaDy4Ga8 cuboctahedra and faces with eight equivalent DyGa12 cuboctahedra. All Ni–Ga bond lengths are 2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Dy and eight Ga atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with four equivalent GaDy4Ga8 cuboctahedra, corners with four equivalent NiGa6 octahedra, edges with eight equivalent DyGa12 cuboctahedra, edges with eight equivalent GaDy4Ga8 cuboctahedra, faces with four equivalent DyGa12 cuboctahedra, and faces with six equivalent GaDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.81 Å) and four longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Dy, one Ni, and four equivalent Ga atoms.

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Materials Data on Tb4Ga12Ag by Materials Project

Tb4AgGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent TbGa12 cuboctahedra, faces with six equivalent TbGa12 cuboctahedra, and faces with two equivalent AgGa6 octahedra. There are six shorter (3.09 Å) and six longer (3.13 Å) Tb–Ga bond lengths. Ag is bonded to six equivalent Ga atoms to form AgGa6 octahedra that share faces with eight equivalent TbGa12 cuboctahedra. All Ag–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.77 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Tb, one Ag, and four equivalent Ga atoms.

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Materials Data on Lu5Ga3 by Materials Project

Lu5Ga3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Ga atoms. All Lu–Ga bond lengths are 3.02 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six Ga atoms. All Lu–Ga bond lengths are 3.02 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to five Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.94–3.48 Å. In the fourth Lu site, Lu is bonded in a 3-coordinate geometry to five Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.94–3.48 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Lu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Lu atoms.

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Materials Data on NdGa6 by Materials Project

NdGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Nd is bonded to twelve Ga atoms to form a mixture of face and edge-sharing NdGa12 cuboctahedra. There are four shorter (3.15 Å) and eight longer (3.28 Å) Nd–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 Nd and five Ga atoms. There are one shorter (2.48 Å) and four longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Nd and three Ga atoms. The Ga–Ga bond length is 2.51 Å.

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Materials Data on Ba(GaO3)2 by Materials Project

Ba(GaO3)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.96 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four O atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. In the second Ga site, Ga is bonded to four O atoms to form corner-sharing GaO4 tetrahedra. There is one shorter (1.86 Å) and three longer (1.87 Å) Ga–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Ba and two Ga atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ba and one Ga atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Ba and one Ga atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ba and one Ga atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Ga atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Ga atom.

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Materials Data on CaGa3Pt by Materials Project

CaPtGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Pt and twelve Ga atoms. All Ca–Pt bond lengths are 3.27 Å. There are a spread of Ca–Ga bond distances ranging from 3.22–3.54 Å. Pt is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. There are one shorter (2.49 Å) and four longer (2.55 Å) Pt–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Ca, two equivalent Pt, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ca, one Pt, and four equivalent Ga atoms.

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Materials Data on UGa5Ru by Materials Project

URuGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (3.06 Å) U–Ga bond lengths. Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.54 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight equivalent Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Ru, and two equivalent Ga atoms.

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Materials Data on UGa5Rh by Materials Project

URhGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (3.06 Å) U–Ga bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight equivalent Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Rh, and two equivalent Ga atoms.

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Materials Data on SrGa3Pd by Materials Project

SrPdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Sr–Pd bond distances ranging from 3.35–3.69 Å. There are a spread of Sr–Ga bond distances ranging from 3.21–3.49 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Sr and five Ga atoms. There are one shorter (2.54 Å) and four longer (2.58 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 Sr, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Sr, two equivalent Pd, and two equivalent Ga atoms.

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Materials Data on Ho4Ga12Ni by Materials Project

Ho4NiGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent HoGa12 cuboctahedra, edges with twelve equivalent GaHo4Ga8 cuboctahedra, faces with six equivalent HoGa12 cuboctahedra, faces with six equivalent GaHo4Ga8 cuboctahedra, and faces with two equivalent NiGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) Ho–Ga bond lengths. Ni is bonded to six equivalent Ga atoms to form NiGa6 octahedra that share corners with twenty-four equivalent GaHo4Ga8 cuboctahedra and faces with eight equivalent HoGa12 cuboctahedra. All Ni–Ga bond lengths are 2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent GaHo4Ga8 cuboctahedra, corners with four equivalent NiGa6 octahedra, edges with eight equivalent HoGa12 cuboctahedra, edges with eight equivalent GaHo4Ga8 cuboctahedra, faces with four equivalent HoGa12 cuboctahedra, and faces with six equivalent GaHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.80 Å) and four longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Ho, one Ni, and four equivalent Ga atoms.

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