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Title: Materials Data on Ca2SnWO6 by Materials Project

Abstract

Ca2WSnO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and three O2- atoms. The Ca–W bond length is 2.43 Å. There are a spread of Ca–O bond distances ranging from 1.88–2.63 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and five O2- atoms. The Ca–W bond length is 2.58 Å. There are a spread of Ca–O bond distances ranging from 2.11–2.88 Å. W6+ is bonded in a 4-coordinate geometry to two Ca2+ and four O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.26 Å. Sn2+ is bonded in a bent 150 degrees geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.20–2.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Sn2+ atom. In the third O2- site, O2- is bonded inmore » a distorted bent 150 degrees geometry to two Ca2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one W6+, and one Sn2+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two Ca2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-5966
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:
1321823
DOI:
https://doi.org/10.17188/1321823

Citation Formats

The Materials Project. Materials Data on Ca2SnWO6 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1321823.
The Materials Project. Materials Data on Ca2SnWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321823
The Materials Project. 2014. "Materials Data on Ca2SnWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321823. https://www.osti.gov/servlets/purl/1321823. Pub date:Sun Feb 09 00:00:00 EST 2014
@article{osti_1321823,
title = {Materials Data on Ca2SnWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2WSnO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and three O2- atoms. The Ca–W bond length is 2.43 Å. There are a spread of Ca–O bond distances ranging from 1.88–2.63 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to one W6+ and five O2- atoms. The Ca–W bond length is 2.58 Å. There are a spread of Ca–O bond distances ranging from 2.11–2.88 Å. W6+ is bonded in a 4-coordinate geometry to two Ca2+ and four O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.26 Å. Sn2+ is bonded in a bent 150 degrees geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.20–2.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Sn2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ca2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one W6+, and one Sn2+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two Ca2+ atoms.},
doi = {10.17188/1321823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}