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Title: Materials Data on Bi2SeO2 by Materials Project

Abstract

Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to one Se2- and four equivalent O2- atoms. The Bi–Se bond length is 3.30 Å. All Bi–O bond lengths are 2.90 Å. Se2- is bonded in a square co-planar geometry to two equivalent Bi3+ and four equivalent O2- atoms. All Se–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing OBi4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-552265
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; Bi2SeO2; Bi-O-Se
OSTI Identifier:
1267566
DOI:
10.17188/1267566

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Bi2SeO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267566.
Persson, Kristin, & Project, Materials. Materials Data on Bi2SeO2 by Materials Project. United States. doi:10.17188/1267566.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Bi2SeO2 by Materials Project". United States. doi:10.17188/1267566. https://www.osti.gov/servlets/purl/1267566. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1267566,
title = {Materials Data on Bi2SeO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to one Se2- and four equivalent O2- atoms. The Bi–Se bond length is 3.30 Å. All Bi–O bond lengths are 2.90 Å. Se2- is bonded in a square co-planar geometry to two equivalent Bi3+ and four equivalent O2- atoms. All Se–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing OBi4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1267566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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