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Title: Materials Data on Ca2SnO4 by Materials Project

Abstract

Ca2SnO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.82 Å. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.06 Å) and four longer (2.17 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Sn2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCa4Sn trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4747
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; Ca2SnO4; Ca-O-Sn
OSTI Identifier:
1208374
DOI:
10.17188/1208374

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca2SnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208374.
Persson, Kristin, & Project, Materials. Materials Data on Ca2SnO4 by Materials Project. United States. doi:10.17188/1208374.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca2SnO4 by Materials Project". United States. doi:10.17188/1208374. https://www.osti.gov/servlets/purl/1208374. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208374,
title = {Materials Data on Ca2SnO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca2SnO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.82 Å. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.06 Å) and four longer (2.17 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Sn2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCa4Sn trigonal bipyramids.},
doi = {10.17188/1208374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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