U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5060
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ca2TeWO6; Ca-O-Te-W
- OSTI Identifier:
- 1321242
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1321242
The Materials Project. 2020.
"Materials Data on Ca2TeWO6 by Materials Project". United States. doi:https://doi.org/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 = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}