Materials Data on Ga5(PS)3 by Materials Project
Ga5(PS)3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to one P3- and three S2- atoms to form corner-sharing GaPS3 tetrahedra. The Ga–P bond length is 2.39 Å. There are one shorter (2.23 Å) and two longer (2.38 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four P3- atoms to form corner-sharing GaP4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.39 Å) Ga–P bond lengths. In the third Ga3+ site, Ga3+ is bonded to three P3- and one S2- atom to form corner-sharing GaP3S tetrahedra. All Ga–P bond lengths are 2.37 Å. The Ga–S bond length is 2.33 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to four Ga3+ atoms to form corner-sharing PGa4 tetrahedra. In the second P3- site, P3- is bonded to four Ga3+ atoms to form corner-sharing PGa4 tetrahedra. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ga3+ atoms.
- 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:
- 1282918
- Report Number(s):
- mp-676038
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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