Materials Data on GaAg(PSe3)2 by Materials Project
AgGa(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgGa(PSe3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent GaSe6 octahedra. All Ag–Se bond lengths are 2.90 Å. Ga3+ is bonded to six equivalent Se2- atoms to form GaSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Ga–Se bond lengths are 2.65 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.23 Å. Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Ga3+, and one P4+ atom.
- 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:
- 1285578
- Report Number(s):
- mp-7008
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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