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Title: Materials Data on MnOF by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1312527· OSTI ID:1312527

MnOF crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedra tilt angles range from 21–30°. There is one shorter (1.92 Å) and two longer (1.93 Å) Mn–O bond length. There are a spread of Mn–F bond distances ranging from 1.97–2.31 Å. O2- is bonded in a distorted T-shaped geometry to three equivalent Mn3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Mn3+ atoms.

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:
1312527
Report Number(s):
mp-868632
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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