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At least 1,243 records · Page 69
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DOE OSTI2020

Materials Data on Ti6Ga16Os7 by Materials Project

Ti6Os7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.73 Å) and four longer (2.80 Å) Ti–Ga bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to eight Ga atoms to form distorted edge-sharing OsGa8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.65 Å) Os–Ga bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Os–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Os atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Ti and four Os atoms.

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Materials Data on Ga3Hg by Materials Project

HgGa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded to twelve Ga atoms to form HgGa12 cuboctahedra that share corners with four equivalent HgGa12 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with eight equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and eight longer (3.15 Å) Hg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Hg and eight Ga atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent GaGa8Hg4 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with eight equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with ten equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.15 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hg and eight equivalent Ga atoms.

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Materials Data on Mg5Ga by Materials Project

Mg5Ga crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with eighteen MgMg10Ga2 cuboctahedra, edges with four equivalent GaMg12 cuboctahedra, edges with fourteen MgMg10Ga2 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen MgMg9Ga3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.17 Å. Both Mg–Ga bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form distorted MgMg9Ga3 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgMg9Ga3 cuboctahedra, edges with eighteen MgMg10Ga2 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen MgMg10Ga2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.17 Å. All Mg–Ga bond lengths are 3.09 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with eighteen MgMg10Ga2 cuboctahedra, edges with four equivalent GaMg12 cuboctahedra, edges with fourteen MgMg9Ga3 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen MgMg10Ga2 cuboctahedra. There are two shorter (3.08 Å) and one longer (3.12 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.15 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with eighteen MgMg10Ga2 cuboctahedra, edges with four equivalent GaMg12 cuboctahedra, edges with fourteen MgMg9Ga3 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen MgMg10Ga2 cuboctahedra. There are four shorter (3.08 Å) and two longer (3.12 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.15 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with eighteen MgMg10Ga2 cuboctahedra, edges with four equivalent GaMg12 cuboctahedra, edges with fourteen MgMg9Ga3 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen MgMg10Ga2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.17 Å. Both Mg–Ga bond lengths are 3.15 Å. Ga is bonded to twelve Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgMg9Ga3 cuboctahedra, edges with six equivalent GaMg12 cuboctahedra, edges with twelve MgMg10Ga2 cuboctahedra, and faces with twenty MgMg10Ga2 cuboctahedra.

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Materials Data on Dy6GaNi2 by Materials Project

Dy6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.79 Å) and one longer (3.20 Å) Dy–Ni bond lengths. There are one shorter (3.01 Å) and one longer (3.23 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.70 Å) and two longer (2.88 Å) Dy–Ni bond lengths. The Dy–Ga bond length is 3.35 Å. In the third Dy site, Dy is bonded in a 5-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.92 Å) and one longer (3.13 Å) Dy–Ni bond lengths. There are one shorter (3.16 Å) and one longer (3.64 Å) Dy–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Dy and one Ni atom. The Ni–Ni bond length is 2.71 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Dy and one Ni atom. The Ni–Ni bond length is 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Dy atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Dy atoms.

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Materials Data on Ga3Sb by Materials Project

Ga3Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ga and four equivalent Sb atoms. All Ga–Ga bond lengths are 3.05 Å. All Ga–Sb bond lengths are 3.21 Å. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Sb atoms. All Ga–Sb bond lengths are 3.05 Å. Sb is bonded to twelve Ga atoms to form a mixture of edge, corner, and face-sharing SbGa12 cuboctahedra.

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Materials Data on Zr6Ga16Os7 by Materials Project

Zr6Os7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Os and eight Ga atoms. All Zr–Os bond lengths are 3.14 Å. There are four shorter (2.84 Å) and four longer (2.93 Å) Zr–Ga bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing OsZr4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.71 Å) Os–Ga bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Os atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Zr and four Os atoms.

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Materials Data on Ga3Ag by Materials Project

AgGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve Ga atoms to form AgGa12 cuboctahedra that share corners with four equivalent AgGa12 cuboctahedra, corners with eight equivalent GaGa8Ag4 cuboctahedra, edges with eight equivalent AgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with fourteen GaGa8Ag4 cuboctahedra. There are four shorter (2.97 Å) and eight longer (2.98 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ag and eight Ga atoms to form GaGa8Ag4 cuboctahedra that share corners with twelve equivalent GaGa8Ag4 cuboctahedra, edges with eight equivalent AgGa12 cuboctahedra, edges with sixteen GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with fourteen GaGa8Ag4 cuboctahedra. There are four shorter (2.97 Å) and four longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ag and eight equivalent Ga atoms to form GaGa8Ag4 cuboctahedra that share corners with four equivalent GaGa8Ag4 cuboctahedra, corners with eight equivalent AgGa12 cuboctahedra, edges with twenty-four GaGa8Ag4 cuboctahedra, faces with six equivalent AgGa12 cuboctahedra, and faces with twelve GaGa8Ag4 cuboctahedra.

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Materials Data on Ti6Ga16Ru7 by Materials Project

Ti6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Ti–Ru bond lengths are 3.08 Å. There are four shorter (2.72 Å) and four longer (2.84 Å) Ti–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted face and corner-sharing RuTi4Ga8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.67 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Ru atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Ti and four Ru atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Zr6Ga16Ir7 by Materials Project

Zr6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ir and eight Ga atoms. All Zr–Ir bond lengths are 3.19 Å. There are four shorter (2.79 Å) and four longer (3.13 Å) Zr–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing IrZr4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.72 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Zr and four Ir atoms.

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Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ga atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with nine equivalent MgMg3Ga9 cuboctahedra, corners with nine equivalent GaMg6Ga6 cuboctahedra, edges with six equivalent MgMg3Ga9 cuboctahedra, edges with twelve equivalent GaMg4Ga8 cuboctahedra, faces with five equivalent MgMg3Ga9 cuboctahedra, and faces with fifteen GaMg4Ga8 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. There are six shorter (3.00 Å) and three longer (3.03 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen equivalent GaMg4Ga8 cuboctahedra, edges with eight equivalent MgMg3Ga9 cuboctahedra, edges with ten GaMg4Ga8 cuboctahedra, faces with eight equivalent MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are two shorter (3.00 Å) and six longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to six equivalent Mg and six equivalent Ga atoms to form distorted GaMg6Ga6 cuboctahedra that share corners with eighteen equivalent MgMg3Ga9 cuboctahedra, edges with eighteen GaMg4Ga8 cuboctahedra, faces with six equivalent MgMg3Ga9 cuboctahedra, and faces with fourteen GaMg4Ga8 cuboctahedra.

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Materials Data on Ga3Si by Materials Project

Ga3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to four equivalent Ga and four equivalent Si atoms. All Ga–Ga bond lengths are 2.87 Å. All Ga–Si bond lengths are 2.87 Å. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Ga atoms.

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Materials Data on CsGa9Au5 by Materials Project

CsAu5Ga9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to six equivalent Au and eighteen Ga atoms. All Cs–Au bond lengths are 4.04 Å. There are six shorter (4.07 Å) and twelve longer (4.13 Å) Cs–Ga bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted q6 geometry to nine Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.79–2.84 Å. In the second Au site, Au is bonded in a 6-coordinate geometry to two equivalent Cs and six Ga atoms. There are two shorter (2.61 Å) and four longer (2.64 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Cs and four Au atoms. In the second Ga site, Ga is bonded to two equivalent Cs and four Au atoms to form a mixture of distorted edge, corner, and face-sharing GaCs2Au4 tetrahedra.

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Materials Data on Sc6Ga16Ir7 by Materials Project

Sc6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ga atoms. All Sc–Ir bond lengths are 3.16 Å. There are four shorter (2.87 Å) and four longer (2.99 Å) Sc–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted face and corner-sharing IrSc4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.73 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Sc and four Ir atoms.

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Materials Data on Dy2GaCu3 by Materials Project

Dy2Cu3Ga crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to nine Cu and three equivalent Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.94–3.16 Å. There are one shorter (3.01 Å) and two longer (3.14 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to nine Cu and three equivalent Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.94–3.15 Å. There are two shorter (3.01 Å) and one longer (3.05 Å) Dy–Ga bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. There are two shorter (2.50 Å) and one longer (2.76 Å) Cu–Cu bond lengths. The Cu–Ga bond length is 2.53 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, two Cu, and two equivalent Ga atoms. The Cu–Cu bond length is 2.55 Å. Both Cu–Ga bond lengths are 2.48 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. The Cu–Ga bond length is 2.72 Å. Ga is bonded in a 10-coordinate geometry to six Dy and four Cu atoms.

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Materials Data on MgGa by Materials Project

MgGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form distorted MgMg9Ga3 cuboctahedra that share corners with six equivalent GaGa12 cuboctahedra, corners with twelve equivalent MgMg9Ga3 cuboctahedra, edges with twelve MgMg9Ga3 cuboctahedra, a faceface with one GaGa12 cuboctahedra, and faces with thirteen MgMg9Ga3 cuboctahedra. There are six shorter (3.07 Å) and three longer (3.20 Å) Mg–Mg bond lengths. All Mg–Ga bond lengths are 3.01 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with eighteen MgMg9Ga3 cuboctahedra, and faces with eighteen MgMg9Ga3 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to twelve Ga atoms to form GaGa12 cuboctahedra that share corners with six equivalent GaGa12 cuboctahedra, corners with twelve equivalent MgMg9Ga3 cuboctahedra, edges with six equivalent GaGa12 cuboctahedra, faces with two equivalent MgMg9Ga3 cuboctahedra, and faces with six equivalent GaGa12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.12 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Ga atoms.

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Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgGa8 cuboctahedra. There are a spread of Mg–Ga bond distances ranging from 2.91–3.06 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Mg and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–3.11 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms.

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Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.92–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Mg and four Ga atoms. There are two shorter (2.89 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Mg and two equivalent Ga atoms.

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Materials Data on Hf6Ga16Rh7 by Materials Project

Hf6Rh7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Hf–Ga bond lengths are 2.77 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Ga atoms to form distorted edge-sharing RhGa8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.70 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Hf and three equivalent Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms.

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