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Title: Materials Data on CaSeO4 by Materials Project

Abstract

CaSeO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.46 Å) and four longer (2.55 Å) Ca–O bond lengths. Se6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Se–O bond lengths are 1.68 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Se6+ atom.

Publication Date:
Other Number(s):
mp-1095230
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; CaSeO4; Ca-O-Se
OSTI Identifier:
1706982
DOI:
https://doi.org/10.17188/1706982

Citation Formats

The Materials Project. Materials Data on CaSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706982.
The Materials Project. Materials Data on CaSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1706982
The Materials Project. 2020. "Materials Data on CaSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1706982. https://www.osti.gov/servlets/purl/1706982. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706982,
title = {Materials Data on CaSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSeO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.46 Å) and four longer (2.55 Å) Ca–O bond lengths. Se6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Se–O bond lengths are 1.68 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Se6+ atom.},
doi = {10.17188/1706982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}