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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm9Ga4 by Materials Project

Sm9Ga4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a square co-planar geometry to four equivalent Ga atoms. All Sm–Ga bond lengths are 3.08 Å. In the second Sm site, Sm is bonded in a 1-coordinate geometry to four equivalent Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.02–3.54 Å. In the third Sm site, Sm is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are three shorter (3.07 Å) and two longer (3.74 Å) Sm–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to ten Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ga by Materials Project

Sm3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Ga atoms to form distorted SmSm8Ga4 cuboctahedra that share corners with twelve equivalent SmSm8Ga4 cuboctahedra, edges with eight equivalent GaSm12 cuboctahedra, edges with sixteen equivalent SmSm8Ga4 cuboctahedra, faces with four equivalent GaSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Ga4 cuboctahedra. All Sm–Sm bond lengths are 3.40 Å. All Sm–Ga bond lengths are 3.40 Å. Ga is bonded to twelve equivalent Sm atoms to form GaSm12 cuboctahedra that share corners with twelve equivalent GaSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Ga4 cuboctahedra, faces with six equivalent GaSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGa2 by Materials Project

SmGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Ga atoms to form a mixture of edge and face-sharing SmGa12 cuboctahedra. All Sm–Ga bond lengths are 3.24 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGa3 by Materials Project

SmGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Ga atoms to form a mixture of distorted face and corner-sharing SmGa12 cuboctahedra. There are six shorter (3.10 Å) and six longer (3.20 Å) Sm–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Sm and six equivalent Ga atoms. There are two shorter (2.78 Å) and four longer (2.81 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGa by Materials Project

GaSm crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.13–3.25 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Sm and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm5Ga3 by Materials Project

Ga3Sm5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Ga atoms. There are four shorter (3.10 Å) and two longer (3.63 Å) Sm–Ga bond lengths. In the second Sm site, Sm is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing SmGa5 trigonal bipyramids. There are a spread of Sm–Ga bond distances ranging from 3.14–3.24 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Sm atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Sm and one Ga atom. The Ga–Ga bond length is 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ga2 by Materials Project

Sm3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Sm–Ga bond distances ranging from 2.99–3.77 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.08–3.62 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.05–3.39 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Sm atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Sm atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Sm and one Ga atom. The Ga–Ga bond length is 2.83 Å.

36 MATERIALS SCIENCE↗