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At least 1,045 records · Page 58
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DOE OSTI2020

Materials Data on K2Ga3 by Materials Project

K2Ga3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to five K and nine Ga atoms. There are one shorter (3.28 Å) and four longer (3.75 Å) K–K bond lengths. There are eight shorter (3.74 Å) and one longer (3.76 Å) K–Ga bond lengths. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent K and four equivalent Ga atoms. All K–Ga bond lengths are 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 K and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.77 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to five K and four equivalent Ga atoms.

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Materials Data on V2Ga8Cu3 by Materials Project

V2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. V is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All V–Cu bond lengths are 2.83 Å. There are a spread of V–Ga bond distances ranging from 2.55–2.58 Å. Cu is bonded in a 11-coordinate geometry to two equivalent V, one Cu, and eight Ga atoms. The Cu–Cu bond length is 2.85 Å. There are a spread of Cu–Ga bond distances ranging from 2.57–2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent V, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.72 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V, three equivalent Cu, and three equivalent Ga atoms.

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Materials Data on U4Ga12Rh by Materials Project

U4RhGa12 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 RhGa6 octahedra. There are six shorter (3.05 Å) and six longer (3.07 Å) U–Ga bond lengths. Rh is bonded to six equivalent Ga atoms to form RhGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Rh–Ga bond lengths are 2.51 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 RhGa6 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 50°. There are four shorter (2.81 Å) and four longer (3.05 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent U, one Rh, and four equivalent Ga atoms.

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Materials Data on TiGa2 by Materials Project

TiGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.70–2.87 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ti and six Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi6Ga6 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.66–2.93 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.78 Å.

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Materials Data on CeGa6Pd by Materials Project

CePdGa6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.37 Å) and eight longer (3.41 Å) Ce–Ga bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.40 Å) and four longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Pd, and two equivalent Ga atoms.

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Materials Data on UGa5Ir by Materials Project

UIrGa5 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 (3.07 Å) U–Ga bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.96 Å. In the second 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.

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Materials Data on SmGaCo by Materials Project

SmCoGa crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 1-coordinate geometry to four Co and six Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.66–3.06 Å. There are a spread of Sm–Ga bond distances ranging from 3.07–3.33 Å. In the second Sm site, Sm is bonded in a 1-coordinate geometry to four Co and six Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.65–3.06 Å. There are a spread of Sm–Ga bond distances ranging from 3.07–3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to four Sm, two equivalent Co, and three equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. There are one shorter (2.39 Å) and two longer (2.43 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a 9-coordinate geometry to four Sm, two equivalent Co, and three equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. There are one shorter (2.39 Å) and two longer (2.43 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Sm and three equivalent Co atoms. In the second Ga site, Ga is bonded in a 6-coordinate geometry to six Sm and three equivalent Co atoms.

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Materials Data on PuGa6 by Materials Project

PuGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pu is bonded to twelve Ga atoms to form a mixture of edge and face-sharing PuGa12 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.18 Å) Pu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Pu and three Ga atoms. There are one shorter (2.56 Å) and two longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pu and five Ga atoms. The Ga–Ga bond length is 2.41 Å.

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Materials Data on U4Ga12Pd by Materials Project

U4PdGa12 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 PdGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) U–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Pd–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 Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, corners with four equivalent PdGa6 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 51°. There are four shorter (2.80 Å) and four longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent U, one Pd, and four equivalent Ga atoms.

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Materials Data on U4Ga12Co by Materials Project

U4CoGa12 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 CoGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.04 Å) U–Ga bond lengths. Co is bonded to six equivalent Ga atoms to form CoGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Co–Ga bond lengths are 2.41 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 CoGa6 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 (2.84 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 U, one Co, and four equivalent Ga atoms.

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Materials Data on U4Ga12Fe by Materials Project

U4FeGa12 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 FeGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.04 Å) U–Ga bond lengths. Fe is bonded to six equivalent Ga atoms to form FeGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 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 U and eight Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, corners with four equivalent FeGa6 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 9-coordinate geometry to four equivalent U, one Fe, and four equivalent Ga atoms.

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Materials Data on LaGa6 by Materials Project

LaGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. La is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing LaGa12 cuboctahedra. There are four shorter (3.21 Å) and eight longer (3.30 Å) La–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 La and five Ga atoms. There are one shorter (2.51 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one La and three Ga atoms. The Ga–Ga bond length is 2.52 Å.

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Materials Data on CeGa6 by Materials Project

CeGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded to twelve Ga atoms to form a mixture of edge and face-sharing CeGa12 cuboctahedra. There are four shorter (3.13 Å) and eight longer (3.25 Å) Ce–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. There are one shorter (2.55 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.49 Å.

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Materials Data on Lu3Ga5Ni by Materials Project

Lu3NiGa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to one Ni and ten Ga atoms. The Lu–Ni bond length is 2.77 Å. There are four shorter (2.93 Å) and six longer (3.19 Å) Lu–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent Lu 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 Lu, two equivalent Ni, and four Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaLu6Ga4Ni2 cuboctahedra. There are two shorter (2.66 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 Lu and three equivalent Ga atoms.

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Materials Data on Sr2GaFe2O7 by Materials Project

Sr2Fe2GaO7 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Sr2Fe2GaO7 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.94 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.93 Å. In the fourth Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.89 Å) and two longer (1.90 Å) Fe–O bond length. In the second Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is three shorter (1.89 Å) and one longer (1.90 Å) Fe–O bond length. In the third Fe site, Fe is bonded in a square co-planar geometry to four O atoms. There is one shorter (1.89 Å) and three longer (1.90 Å) Fe–O bond length. In the fourth Fe site, Fe is bonded in a square co-planar geometry to four O atoms. All Fe–O bond lengths are 1.89 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 1.87–1.92 Å. In the second 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 1.87–1.91 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the second O site, O is bonded to two Sr and two Ga atoms to form distorted corner-sharing OSr2Ga2 tetrahedra. In the third O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the fourth O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms. In the sixth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms. In the seventh O site, O is bonded to two Sr and two Ga atoms to form distorted corner-sharing OSr2Ga2 tetrahedra. In the eighth O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the ninth O site, O is bonded in a 4-coordinate geometry to two Sr and two Fe atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the eleventh O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to four Sr and one Ga atom. In the thirteenth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms. In the fourteenth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Sr and two Fe atoms.

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Materials Data on HfGa5Ni by Materials Project

HfNiGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Ga atoms to form distorted HfGa12 cuboctahedra that share corners with four equivalent HfGa12 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with four equivalent GaHf4Ga8 cuboctahedra. There are eight shorter (2.86 Å) and four longer (2.98 Å) Hf–Ga bond lengths. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.48 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Hf, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.86 Å. In the second Ga site, Ga is bonded to four equivalent Hf and eight equivalent Ga atoms to form GaHf4Ga8 cuboctahedra that share corners with four equivalent GaHf4Ga8 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with four equivalent GaHf4Ga8 cuboctahedra.

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Materials Data on ErGa5Co by Materials Project

ErCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share corners with four equivalent ErGa12 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with four equivalent GaEr4Ga8 cuboctahedra. All Er–Ga bond lengths are 2.98 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Co, and seven Ga atoms. There are one shorter (2.59 Å) and six longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent GaEr4Ga8 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with four equivalent GaEr4Ga8 cuboctahedra.

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Materials Data on TbGa5Co by Materials Project

TbCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form a mixture of face and corner-sharing TbGa12 cuboctahedra. There are four shorter (2.98 Å) and eight longer (2.99 Å) Tb–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.99 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Tb and eight equivalent Ga atoms.

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