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Title: Materials Data on BeCrO4 by Materials Project

Abstract

BeCrO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two BeCrO4 sheets oriented in the (1, 0, 0) direction. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.56 Å) Be–O bond length. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.59–1.70 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Be2+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Be2+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one Cr6+ atom.

Publication Date:
Other Number(s):
mp-772665
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; BeCrO4; Be-Cr-O
OSTI Identifier:
1301403
DOI:
10.17188/1301403

Citation Formats

The Materials Project. Materials Data on BeCrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301403.
The Materials Project. Materials Data on BeCrO4 by Materials Project. United States. doi:10.17188/1301403.
The Materials Project. 2020. "Materials Data on BeCrO4 by Materials Project". United States. doi:10.17188/1301403. https://www.osti.gov/servlets/purl/1301403. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301403,
title = {Materials Data on BeCrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {BeCrO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two BeCrO4 sheets oriented in the (1, 0, 0) direction. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.56 Å) Be–O bond length. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.59–1.70 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Be2+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Be2+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one Cr6+ atom.},
doi = {10.17188/1301403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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