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Title: Materials Data on CaLa2SnO6 by Materials Project

Abstract

CaLa2SnO6 is pyrite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ca–O bond lengths are 2.31 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.75 Å) La–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sn–O bond lengths are 2.10 Å. O2- is bonded to one Ca2+, two equivalent La3+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCaLa2Sn trigonal pyramids.

Publication Date:
Other Number(s):
mvc-13402
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; CaLa2SnO6; Ca-La-O-Sn
OSTI Identifier:
1318876
DOI:
https://doi.org/10.17188/1318876

Citation Formats

The Materials Project. Materials Data on CaLa2SnO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318876.
The Materials Project. Materials Data on CaLa2SnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1318876
The Materials Project. 2020. "Materials Data on CaLa2SnO6 by Materials Project". United States. doi:https://doi.org/10.17188/1318876. https://www.osti.gov/servlets/purl/1318876. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318876,
title = {Materials Data on CaLa2SnO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaLa2SnO6 is pyrite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ca–O bond lengths are 2.31 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.75 Å) La–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sn–O bond lengths are 2.10 Å. O2- is bonded to one Ca2+, two equivalent La3+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCaLa2Sn trigonal pyramids.},
doi = {10.17188/1318876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}