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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ga3Ni2 by Materials Project

Ni2Ga3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.43–2.60 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to five equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga3Ni5 by Materials Project

Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent NiGa4Ni8 cuboctahedra, edges with eight equivalent NiGa6Ni6 cuboctahedra, and faces with six NiGa4Ni8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.62 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to six Ni and six Ga atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent NiGa6Ni6 cuboctahedra, edges with four equivalent NiGa4Ni8 cuboctahedra, and faces with eight NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.64 Å. All Ni–Ga bond lengths are 2.53 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to ten Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga7Ni3 by Materials Project

Ni3Ga7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ni is bonded in a 9-coordinate geometry to one Ni and eight Ga atoms. The Ni–Ni bond length is 2.54 Å. There are four shorter (2.47 Å) and four longer (2.51 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Ni atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Ni and four equivalent Ga atoms. There are one shorter (2.59 Å) and three longer (2.74 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaNi by Materials Project

NiGa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.52 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga9Ni13 by Materials Project

Ni13Ga9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to five Ni and six Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.59–2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.38–2.53 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.65 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.63 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to six Ni and seven Ga atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–Ga bond distances ranging from 2.47–2.96 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ga atoms. Both Ni–Ni bond lengths are 2.49 Å. There are a spread of Ni–Ga bond distances ranging from 2.44–2.54 Å. In the fifth Ni site, Ni is bonded to six Ni and six Ga atoms to form face-sharing NiGa6Ni6 cuboctahedra. There are four shorter (2.50 Å) and two longer (2.61 Å) Ni–Ga bond lengths. In the sixth Ni site, Ni is bonded to six Ni and six Ga atoms to form a mixture of face and corner-sharing NiGa6Ni6 cuboctahedra. There are a spread of Ni–Ga bond distances ranging from 2.52–2.60 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Ni atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to eight Ni atoms. In the third Ga site, Ga is bonded in a 10-coordinate geometry to ten Ni atoms. In the fourth Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga4Ni3 by Materials Project

Ga4Ni3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.46–2.58 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ni atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six equivalent Ni and one Ga atom. The Ga–Ga bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaNi2 by Materials Project

NiNiGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Ga atoms. There are two shorter (2.51 Å) and six longer (2.65 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.65 Å. In the second Ni site, Ni is bonded to six equivalent Ni and five equivalent Ga atoms to form a mixture of distorted face and corner-sharing NiGa5Ni6 trigonal bipyramids. There are three shorter (2.34 Å) and two longer (2.51 Å) Ni–Ga bond lengths. Ga is bonded in a 11-coordinate geometry to eleven Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaNi3 by Materials Project

Ni3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with twelve equivalent NiGa4Ni8 cuboctahedra, edges with eight equivalent GaNi12 cuboctahedra, edges with sixteen equivalent NiGa4Ni8 cuboctahedra, faces with four equivalent GaNi12 cuboctahedra, and faces with fourteen equivalent NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. All Ni–Ga bond lengths are 2.53 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, edges with twenty-four equivalent NiGa4Ni8 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with twelve equivalent NiGa4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaNi3 by Materials Project

Ni3Ga is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Ga atoms to form distorted NiGa4Ni8 cuboctahedra that share corners with twelve equivalent NiGa4Ni8 cuboctahedra, edges with eight equivalent GaNi12 cuboctahedra, edges with sixteen NiGa4Ni8 cuboctahedra, faces with four equivalent GaNi12 cuboctahedra, and faces with fourteen NiGa4Ni8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.60 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.49 Å. In the second Ni site, Ni is bonded to eight equivalent Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent NiGa4Ni8 cuboctahedra, corners with eight equivalent GaNi12 cuboctahedra, edges with twenty-four NiGa4Ni8 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with twelve NiGa4Ni8 cuboctahedra. All Ni–Ga bond lengths are 2.60 Å. Ga is bonded to twelve Ni atoms to form GaNi12 cuboctahedra that share corners with four equivalent GaNi12 cuboctahedra, corners with eight equivalent 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.

36 MATERIALS SCIENCE↗