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Title: Materials Data on MgSnO3 by Materials Project

Abstract

MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Mg–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.06 Å) and three longer (2.16 Å) Sn–O bond lengths. O2- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Sn2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1176491
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; MgSnO3; Mg-O-Sn
OSTI Identifier:
1685673
DOI:
https://doi.org/10.17188/1685673

Citation Formats

The Materials Project. Materials Data on MgSnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685673.
The Materials Project. Materials Data on MgSnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685673
The Materials Project. 2020. "Materials Data on MgSnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685673. https://www.osti.gov/servlets/purl/1685673. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685673,
title = {Materials Data on MgSnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Mg–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.06 Å) and three longer (2.16 Å) Sn–O bond lengths. O2- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Sn2 trigonal pyramids.},
doi = {10.17188/1685673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}