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Title: Materials Data on Na4Si3(SnO6)2 by Materials Project

Abstract

Na4Si3(SnO6)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.51–3.00 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.10 Å) Sn–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 31–39°. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Sn4+, and one Si4+ atom. In the second O2- site, O2- is bonded to three Na1+, one Sn4+, and one Si4+ atom to form a mixture of distorted corner, edge, andmore » face-sharing ONa3SiSn trigonal bipyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554853
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; Na4Si3(SnO6)2; Na-O-Si-Sn
OSTI Identifier:
1268199
DOI:
10.17188/1268199

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na4Si3(SnO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268199.
Persson, Kristin, & Project, Materials. Materials Data on Na4Si3(SnO6)2 by Materials Project. United States. doi:10.17188/1268199.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na4Si3(SnO6)2 by Materials Project". United States. doi:10.17188/1268199. https://www.osti.gov/servlets/purl/1268199. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268199,
title = {Materials Data on Na4Si3(SnO6)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na4Si3(SnO6)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.51–3.00 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.10 Å) Sn–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 31–39°. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Sn4+, and one Si4+ atom. In the second O2- site, O2- is bonded to three Na1+, one Sn4+, and one Si4+ atom to form a mixture of distorted corner, edge, and face-sharing ONa3SiSn trigonal bipyramids.},
doi = {10.17188/1268199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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