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Title: Materials Data on Re2BiO6 by Materials Project

Abstract

BiRe2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Re–O bond distances ranging from 1.96–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re+4.50+ and two equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-1188946
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; Re2BiO6; Bi-O-Re
OSTI Identifier:
1680515
DOI:
https://doi.org/10.17188/1680515

Citation Formats

The Materials Project. Materials Data on Re2BiO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680515.
The Materials Project. Materials Data on Re2BiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1680515
The Materials Project. 2019. "Materials Data on Re2BiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1680515. https://www.osti.gov/servlets/purl/1680515. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1680515,
title = {Materials Data on Re2BiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {BiRe2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Re–O bond distances ranging from 1.96–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re+4.50+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1680515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}