Materials Data on InAg(PS3)2 by Materials Project
AgInP2S6 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgInP2S6 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent InS6 octahedra. All Ag–S bond lengths are 2.80 Å. In1+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share edges with three equivalent AgS6 octahedra. All In–S bond lengths are 2.69 Å. P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a 3-coordinate geometry to one Ag1+, one In1+, and one P5+ atom.
- 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:
- 1198873
- Report Number(s):
- mp-22661
- Country of Publication:
- United States
- Language:
- English
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