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Title: Materials Data on Cs2PtI6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199206· OSTI ID:1199206

Cs2PtI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent PtI6 octahedra. All Cs–I bond lengths are 4.16 Å. Pt4+ is bonded to six equivalent I1- atoms to form PtI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Pt–I bond lengths are 2.71 Å. I1- is bonded to four equivalent Cs1+ and one Pt4+ atom to form a mixture of distorted edge, corner, and face-sharing ICs4Pt square 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:
1199206
Report Number(s):
mp-23060
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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