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Title: Materials Data on Bi5IO7 by Materials Project

Abstract

Bi5O7I crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. there are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- and one I1- atom. There are a spread of Bi–O bond distances ranging from 2.20–2.79 Å. The Bi–I bond length is 3.74 Å. In the second Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- and one I1- atom. There are a spread of Bi–O bond distances ranging from 2.15–2.68 Å. The Bi–I bond length is 3.89 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent I1- atoms. There are two shorter (2.21 Å) and two longer (2.25 Å) Bi–O bond lengths. Both Bi–I bond lengths are 3.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Bi3+ and one I1- atom. The O–Imore » bond length is 3.61 Å. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form distorted edge-sharing OBi4 tetrahedra. I1- is bonded in a 6-coordinate geometry to six Bi3+ and two equivalent O2- atoms.« less

Publication Date:
Other Number(s):
mp-554445
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; Bi5IO7; Bi-I-O
OSTI Identifier:
1267906
DOI:
https://doi.org/10.17188/1267906

Citation Formats

The Materials Project. Materials Data on Bi5IO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267906.
The Materials Project. Materials Data on Bi5IO7 by Materials Project. United States. doi:https://doi.org/10.17188/1267906
The Materials Project. 2020. "Materials Data on Bi5IO7 by Materials Project". United States. doi:https://doi.org/10.17188/1267906. https://www.osti.gov/servlets/purl/1267906. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1267906,
title = {Materials Data on Bi5IO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi5O7I crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. there are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- and one I1- atom. There are a spread of Bi–O bond distances ranging from 2.20–2.79 Å. The Bi–I bond length is 3.74 Å. In the second Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- and one I1- atom. There are a spread of Bi–O bond distances ranging from 2.15–2.68 Å. The Bi–I bond length is 3.89 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent I1- atoms. There are two shorter (2.21 Å) and two longer (2.25 Å) Bi–O bond lengths. Both Bi–I bond lengths are 3.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Bi3+ and one I1- atom. The O–I bond length is 3.61 Å. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form distorted edge-sharing OBi4 tetrahedra. I1- is bonded in a 6-coordinate geometry to six Bi3+ and two equivalent O2- atoms.},
doi = {10.17188/1267906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}