Materials Data on KPt2Se3 by Materials Project
KPt2Se3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2Se3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent Se+1.67- atoms. All K–Se bond lengths are 3.51 Å. 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 2.55 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 to one K1+ and three Pt2+ atoms to form a mixture of distorted corner and edge-sharing SeKPt3 trigonal pyramids.
- 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:
- 1190899
- Report Number(s):
- mp-14796
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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