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Title: Materials Data on KBrF4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1269421· OSTI ID:1269421

KBrF4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.78 Å) and four longer (2.79 Å) K–F bond lengths. Br is bonded in a 4-coordinate geometry to four F atoms. There are three shorter (2.04 Å) and one longer (2.05 Å) Br–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two equivalent K and one Br atom. In the second F site, F is bonded in a distorted trigonal planar geometry to two equivalent K and one Br atom. In the third F site, F is bonded in a distorted trigonal planar geometry to two equivalent K and one Br 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:
1269421
Report Number(s):
mp-556565
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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