Results for “GaSn3” | Engineering Papers

DOE OSTI2020

Materials Data on GaSn3 by Materials Project

GaSn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. All Ga–Sn bond lengths are 3.21 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Ga and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.21 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on GaSn3 by Materials Project

GaSn3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ga is bonded to twelve equivalent Sn atoms to form GaSn12 cuboctahedra that share corners with six equivalent GaSn12 cuboctahedra, corners with twelve equivalent SnGa4Sn8 cuboctahedra, edges with eighteen equivalent SnGa4Sn8 cuboctahedra, faces with eight equivalent GaSn12 cuboctahedra, and faces with twelve equivalent SnGa4Sn8 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.33 Å) Ga–Sn bond lengths. Sn is bonded to four equivalent Ga and eight equivalent Sn atoms to form SnGa4Sn8 cuboctahedra that share corners with four equivalent GaSn12 cuboctahedra, corners with fourteen equivalent SnGa4Sn8 cuboctahedra, edges with six equivalent GaSn12 cuboctahedra, edges with twelve equivalent SnGa4Sn8 cuboctahedra, faces with four equivalent GaSn12 cuboctahedra, and faces with sixteen equivalent SnGa4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.24–3.37 Å.

36 MATERIALS SCIENCE↗