Materials Data on CsPt2Se3 by Materials Project
CsPt2Se3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent Se+1.67- atoms. There are three shorter (3.86 Å) and six longer (4.15 Å) Cs–Se bond lengths. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.56 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.48 Å. Se+1.67- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and three Pt2+ 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:
- 1276484
- Report Number(s):
- mp-573316
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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