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Title: Materials Data on CaSbF6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1319522· OSTI ID:1319522

CaSbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Ca–F bond lengths are 2.29 Å. Sb is bonded to six equivalent F atoms to form SbF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Sb–F bond lengths are 2.05 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Sb 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:
1319522
Report Number(s):
mvc-15694
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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