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Title: Materials Data on MgFeF6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1319559· OSTI ID:1319559

MgFeF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent F atoms to form MgF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. Fe is bonded to six equivalent F atoms to form FeF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Fe–F bond lengths are 1.88 Å. F is bonded in a bent 150 degrees geometry to one Mg and one Fe 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:
1319559
Report Number(s):
mvc-15856
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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