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Title: Materials Data on Ca2TeWO6 by Materials Project

Abstract

Ca2WTeO6 is Ilmenite-derived structured and crystallizes in the monoclinic P2_1/c 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 2.32–2.55 Å. W4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.88–2.02 Å. Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 2.34–2.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+, one W4+, and one Te4+ atom. In the second O2- site, O2- is bonded to two equivalent Ca2+, one W4+, and one Te4+ atom to form a mixture of distorted edge and corner-sharing OCa2TeW trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent Ca2+, one W4+, and one Te4+ atom to form a mixture of distorted edge and corner-sharing OCa2TeW trigonal pyramids.

Publication Date:
Other Number(s):
mvc-5060
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; Ca2TeWO6; Ca-O-Te-W
OSTI Identifier:
1321242
DOI:
10.17188/1321242

Citation Formats

The Materials Project. Materials Data on Ca2TeWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321242.
The Materials Project. Materials Data on Ca2TeWO6 by Materials Project. United States. doi:10.17188/1321242.
The Materials Project. 2020. "Materials Data on Ca2TeWO6 by Materials Project". United States. doi:10.17188/1321242. https://www.osti.gov/servlets/purl/1321242. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1321242,
title = {Materials Data on Ca2TeWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2WTeO6 is Ilmenite-derived structured and crystallizes in the monoclinic P2_1/c 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 2.32–2.55 Å. W4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.88–2.02 Å. Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 2.34–2.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+, one W4+, and one Te4+ atom. In the second O2- site, O2- is bonded to two equivalent Ca2+, one W4+, and one Te4+ atom to form a mixture of distorted edge and corner-sharing OCa2TeW trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent Ca2+, one W4+, and one Te4+ atom to form a mixture of distorted edge and corner-sharing OCa2TeW trigonal pyramids.},
doi = {10.17188/1321242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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