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Title: Materials Data on Na2SnO3 by Materials Project

Abstract

Na2SnO3 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 octahedra, corners with four equivalent SnO6 octahedra, edges with two equivalent NaO6 octahedra, edges with four equivalent SnO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 11–13°. There are two shorter (2.37 Å) and four longer (2.53 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent NaO6 pentagonal pyramids, edges with six equivalent SnO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. All Na–O bond lengths are 2.38 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent NaO6 pentagonal pyramids, edges with three equivalent NaO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. All Sn–O bond lengths are 2.13 Å. O2- is bonded to four Na1+ and twomore » equivalent Sn4+ atoms to form a mixture of corner, edge, and face-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–49°.« less

Authors:
Publication Date:
Other Number(s):
mp-755486
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; Na2SnO3; Na-O-Sn
OSTI Identifier:
1290030
DOI:
https://doi.org/10.17188/1290030

Citation Formats

The Materials Project. Materials Data on Na2SnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290030.
The Materials Project. Materials Data on Na2SnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290030
The Materials Project. 2020. "Materials Data on Na2SnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290030. https://www.osti.gov/servlets/purl/1290030. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290030,
title = {Materials Data on Na2SnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2SnO3 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 octahedra, corners with four equivalent SnO6 octahedra, edges with two equivalent NaO6 octahedra, edges with four equivalent SnO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 11–13°. There are two shorter (2.37 Å) and four longer (2.53 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent NaO6 pentagonal pyramids, edges with six equivalent SnO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. All Na–O bond lengths are 2.38 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent NaO6 pentagonal pyramids, edges with three equivalent NaO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. All Sn–O bond lengths are 2.13 Å. O2- is bonded to four Na1+ and two equivalent Sn4+ atoms to form a mixture of corner, edge, and face-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–49°.},
doi = {10.17188/1290030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}