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Title: Materials Data on Mn3Sb2(IO)4 by Materials Project

Abstract

Mn3Sb2(OI)4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Mn3Sb2(OI)4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.06 Å. There are two shorter (2.97 Å) and two longer (3.05 Å) Mn–I bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.07 Å. There are two shorter (2.93 Å) and two longer (3.35 Å) Mn–I bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.06 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Sb3+ atom. There are two inequivalent I1- sites. In the firstmore » I1- site, I1- is bonded in a 1-coordinate geometry to three Mn2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Mn2+ atoms.« less

Publication Date:
Other Number(s):
mp-1193915
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; Mn3Sb2(IO)4; I-Mn-O-Sb
OSTI Identifier:
1729346
DOI:
https://doi.org/10.17188/1729346

Citation Formats

The Materials Project. Materials Data on Mn3Sb2(IO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729346.
The Materials Project. Materials Data on Mn3Sb2(IO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1729346
The Materials Project. 2020. "Materials Data on Mn3Sb2(IO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1729346. https://www.osti.gov/servlets/purl/1729346. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729346,
title = {Materials Data on Mn3Sb2(IO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3Sb2(OI)4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Mn3Sb2(OI)4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.06 Å. There are two shorter (2.97 Å) and two longer (3.05 Å) Mn–I bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.07 Å. There are two shorter (2.93 Å) and two longer (3.35 Å) Mn–I bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.06 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Sb3+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three Mn2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Mn2+ atoms.},
doi = {10.17188/1729346},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}