DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ca2SnWO6 by Materials Project

Abstract

Ca2WSnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–3.08 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 37–45°. There is two shorter (1.95 Å) and four longer (1.97 Å) W–O bond length. Sn2+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–45°. There are a spread of Sn–O bond distances ranging from 2.39–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ca2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one W6+, and one Sn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one W6+, and one Sn2+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-5006
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; Ca2SnWO6; Ca-O-Sn-W
OSTI Identifier:
1321210
DOI:
https://doi.org/10.17188/1321210

Citation Formats

The Materials Project. Materials Data on Ca2SnWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321210.
The Materials Project. Materials Data on Ca2SnWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321210
The Materials Project. 2020. "Materials Data on Ca2SnWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321210. https://www.osti.gov/servlets/purl/1321210. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1321210,
title = {Materials Data on Ca2SnWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2WSnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–3.08 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 37–45°. There is two shorter (1.95 Å) and four longer (1.97 Å) W–O bond length. Sn2+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–45°. There are a spread of Sn–O bond distances ranging from 2.39–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ca2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one W6+, and one Sn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one W6+, and one Sn2+ atom.},
doi = {10.17188/1321210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}