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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm3(GaNi3)2 by Materials Project

Sm3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.80 Å) and four longer (3.06 Å) Sm–Ni bond lengths. All Sm–Ga bond lengths are 3.19 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Sm, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.59 Å) and two longer (2.92 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.50 Å. Ga is bonded to six equivalent Sm and six equivalent Ni atoms to form a mixture of corner and face-sharing GaSm6Ni6 cuboctahedra.

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 Tb3(GaNi3)2 by Materials Project

Tb3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.78 Å) and four longer (3.05 Å) Tb–Ni bond lengths. All Tb–Ga bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tb, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.58 Å) and two longer (2.90 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. Ga is bonded to six equivalent Tb and six equivalent Ni atoms to form a mixture of face and corner-sharing GaTb6Ni6 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↗