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Title: Materials Data on BaBi2(IO)2 by Materials Project

Abstract

BaBi2(OI)2 crystallizes in the tetragonal I-4m2 space group. The structure is two-dimensional and consists of two BaBi2(OI)2 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded to four equivalent O2- atoms to form distorted corner-sharing BaO4 tetrahedra. All Ba–O bond lengths are 2.61 Å. Bi2+ is bonded in a distorted water-like geometry to two equivalent O2- and four equivalent I1- atoms. Both Bi–O bond lengths are 2.46 Å. All Bi–I bond lengths are 3.38 Å. O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent Bi2+ atoms. I1- is bonded in a 12-coordinate geometry to four equivalent Bi2+ atoms.

Publication Date:
Other Number(s):
mp-1228019
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; BaBi2(IO)2; Ba-Bi-I-O
OSTI Identifier:
1684267
DOI:
https://doi.org/10.17188/1684267

Citation Formats

The Materials Project. Materials Data on BaBi2(IO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684267.
The Materials Project. Materials Data on BaBi2(IO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684267
The Materials Project. 2020. "Materials Data on BaBi2(IO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684267. https://www.osti.gov/servlets/purl/1684267. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684267,
title = {Materials Data on BaBi2(IO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaBi2(OI)2 crystallizes in the tetragonal I-4m2 space group. The structure is two-dimensional and consists of two BaBi2(OI)2 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded to four equivalent O2- atoms to form distorted corner-sharing BaO4 tetrahedra. All Ba–O bond lengths are 2.61 Å. Bi2+ is bonded in a distorted water-like geometry to two equivalent O2- and four equivalent I1- atoms. Both Bi–O bond lengths are 2.46 Å. All Bi–I bond lengths are 3.38 Å. O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent Bi2+ atoms. I1- is bonded in a 12-coordinate geometry to four equivalent Bi2+ atoms.},
doi = {10.17188/1684267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}