Materials Data on ThGa2 by Materials Project
ThGa2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. All Ga–Th bond lengths are 3.26 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1195829
- Report Number(s):
- mp-2067
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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