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Title: Materials Data on MnSb2(OF4)2 by Materials Project

Abstract

MnSb2(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MnSb2(OF4)2 sheet oriented in the (-1, 0, 2) direction. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mn–O bond lengths are 1.78 Å. There are two shorter (2.01 Å) and two longer (2.06 Å) Mn–F bond lengths. Sb5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.95–2.16 Å. O2- is bonded in a single-bond geometry to one Mn2+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Mn2+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mn2+ and one Sb5+ atom.

Publication Date:
Other Number(s):
mp-1194472
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MnSb2(OF4)2; F-Mn-O-Sb
OSTI Identifier:
1749162
DOI:
https://doi.org/10.17188/1749162

Citation Formats

The Materials Project. Materials Data on MnSb2(OF4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749162.
The Materials Project. Materials Data on MnSb2(OF4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749162
The Materials Project. 2020. "Materials Data on MnSb2(OF4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749162. https://www.osti.gov/servlets/purl/1749162. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749162,
title = {Materials Data on MnSb2(OF4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnSb2(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MnSb2(OF4)2 sheet oriented in the (-1, 0, 2) direction. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mn–O bond lengths are 1.78 Å. There are two shorter (2.01 Å) and two longer (2.06 Å) Mn–F bond lengths. Sb5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.95–2.16 Å. O2- is bonded in a single-bond geometry to one Mn2+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Mn2+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mn2+ and one Sb5+ atom.},
doi = {10.17188/1749162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}