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Title: Materials Data on CaW2O5 by Materials Project

Abstract

CaW2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.50 Å. There are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.89–2.26 Å. In the second W4+ site, W4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.89–2.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two W4+ atoms to form distorted corner-sharing OCa2W2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one W4+ atom. In the fifth O2-more » site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one W4+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1321174
Report Number(s):
mvc-4914
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; CaW2O5; Ca-O-W

Citation Formats

The Materials Project. Materials Data on CaW2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321174.
The Materials Project. Materials Data on CaW2O5 by Materials Project. United States. https://doi.org/10.17188/1321174
The Materials Project. 2020. "Materials Data on CaW2O5 by Materials Project". United States. https://doi.org/10.17188/1321174. https://www.osti.gov/servlets/purl/1321174.
@article{osti_1321174,
title = {Materials Data on CaW2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaW2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.50 Å. There are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.89–2.26 Å. In the second W4+ site, W4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.89–2.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two W4+ atoms to form distorted corner-sharing OCa2W2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one W4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one W4+ atom.},
doi = {10.17188/1321174},
url = {https://www.osti.gov/biblio/1321174}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}