DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CrBiWO6 by Materials Project

Abstract

WCrBiO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 39–42°. There is two shorter (1.93 Å) and four longer (1.94 Å) W–O bond length. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There is four shorter (1.92 Å) and two longer (1.94 Å) Cr–O bond length. Bi3+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.53 Å) and two longer (2.55 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cr3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+, one Cr3+, and one Bi3+more » atom.« less

Publication Date:
Other Number(s):
mp-1226374
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; CrBiWO6; Bi-Cr-O-W
OSTI Identifier:
1722390
DOI:
https://doi.org/10.17188/1722390

Citation Formats

The Materials Project. Materials Data on CrBiWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722390.
The Materials Project. Materials Data on CrBiWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1722390
The Materials Project. 2020. "Materials Data on CrBiWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1722390. https://www.osti.gov/servlets/purl/1722390. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722390,
title = {Materials Data on CrBiWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {WCrBiO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 39–42°. There is two shorter (1.93 Å) and four longer (1.94 Å) W–O bond length. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There is four shorter (1.92 Å) and two longer (1.94 Å) Cr–O bond length. Bi3+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.53 Å) and two longer (2.55 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cr3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+, one Cr3+, and one Bi3+ atom.},
doi = {10.17188/1722390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}