Materials Data on Sc3Ga by Materials Project
Sc3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Ga atoms to form distorted ScSc8Ga4 cuboctahedra that share corners with four equivalent GaSc12 cuboctahedra, corners with fourteen equivalent ScSc8Ga4 cuboctahedra, edges with six equivalent GaSc12 cuboctahedra, edges with twelve equivalent ScSc8Ga4 cuboctahedra, faces with four equivalent GaSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Ga4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.03–3.21 Å. There are two shorter (3.06 Å) and two longer (3.12 Å) Sc–Ga bond lengths. Ga is bonded to twelve equivalent Sc atoms to form GaSc12 cuboctahedra that share corners with six equivalent GaSc12 cuboctahedra, corners with twelve equivalent ScSc8Ga4 cuboctahedra, edges with eighteen equivalent ScSc8Ga4 cuboctahedra, faces with eight equivalent GaSc12 cuboctahedra, and faces with twelve equivalent ScSc8Ga4 cuboctahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1739803
- Report Number(s):
- mp-1186968
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Sc3Tc by Materials Project
Materials Data on VIn3 by Materials Project
Materials Data on ScCd3 by Materials Project
Dataset
·
Wed Jul 22 00:00:00 EDT 2020
·
OSTI ID:1309292
Materials Data on VIn3 by Materials Project
Dataset
·
Tue May 05 00:00:00 EDT 2020
·
OSTI ID:1680213
Materials Data on ScCd3 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1204898