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Title: Materials Data on MnBi2(IO)8 by Materials Project

Abstract

Mn(O4I)2(Bi)2(I)6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bismuth molecules, twelve hydriodic acid molecules, and two Mn(O4I)2 clusters. In each Mn(O4I)2 cluster, Mn4+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.11–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one O2- and one I+0.50+ atom. The O–O bond length is 1.40 Å. The O–I bond length is 2.08 Å. In the second O2- site, O2- is bonded in an L-shaped geometry to one Mn4+ and one I+0.50+ atom. The O–I bond length is 1.82 Å. In the third O2- site, O2- is bonded in an L-shaped geometry to one Mn4+ and one I+0.50+ atom. The O–I bond length is 1.82 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn4+ and one O2- atom. I+0.50+ is bonded in a distorted T-shaped geometry to three O2- atoms.

Publication Date:
Other Number(s):
mp-1195460
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; MnBi2(IO)8; Bi-I-Mn-O
OSTI Identifier:
1651965
DOI:
https://doi.org/10.17188/1651965

Citation Formats

The Materials Project. Materials Data on MnBi2(IO)8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651965.
The Materials Project. Materials Data on MnBi2(IO)8 by Materials Project. United States. doi:https://doi.org/10.17188/1651965
The Materials Project. 2020. "Materials Data on MnBi2(IO)8 by Materials Project". United States. doi:https://doi.org/10.17188/1651965. https://www.osti.gov/servlets/purl/1651965. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1651965,
title = {Materials Data on MnBi2(IO)8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(O4I)2(Bi)2(I)6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bismuth molecules, twelve hydriodic acid molecules, and two Mn(O4I)2 clusters. In each Mn(O4I)2 cluster, Mn4+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.11–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one O2- and one I+0.50+ atom. The O–O bond length is 1.40 Å. The O–I bond length is 2.08 Å. In the second O2- site, O2- is bonded in an L-shaped geometry to one Mn4+ and one I+0.50+ atom. The O–I bond length is 1.82 Å. In the third O2- site, O2- is bonded in an L-shaped geometry to one Mn4+ and one I+0.50+ atom. The O–I bond length is 1.82 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn4+ and one O2- atom. I+0.50+ is bonded in a distorted T-shaped geometry to three O2- atoms.},
doi = {10.17188/1651965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}