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Title: Materials Data on Na3SbSe3 by Materials Project

Abstract

Na3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 38–56°. There are three shorter (3.20 Å) and three longer (3.23 Å) Na–Se bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 24–46°. There are three shorter (3.02 Å) and three longer (3.21 Å) Na–Se bond lengths. In the third Na1+ site, Na1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 24–45°. There are three shorter (3.01 Å) and three longer (3.24 Å) Na–Se bond lengths. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.61 Å. Se2- is bonded to six Na1+ and one Sb3+ atom to form a mixture of distorted edge, face, and corner-sharing SeNa6Sbmore » pentagonal bipyramids.« less

Publication Date:
Other Number(s):
mp-1193265
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; Na3SbSe3; Na-Sb-Se
OSTI Identifier:
1751059
DOI:
https://doi.org/10.17188/1751059

Citation Formats

The Materials Project. Materials Data on Na3SbSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751059.
The Materials Project. Materials Data on Na3SbSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1751059
The Materials Project. 2020. "Materials Data on Na3SbSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1751059. https://www.osti.gov/servlets/purl/1751059. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1751059,
title = {Materials Data on Na3SbSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 38–56°. There are three shorter (3.20 Å) and three longer (3.23 Å) Na–Se bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 24–46°. There are three shorter (3.02 Å) and three longer (3.21 Å) Na–Se bond lengths. In the third Na1+ site, Na1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 24–45°. There are three shorter (3.01 Å) and three longer (3.24 Å) Na–Se bond lengths. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.61 Å. Se2- is bonded to six Na1+ and one Sb3+ atom to form a mixture of distorted edge, face, and corner-sharing SeNa6Sb pentagonal bipyramids.},
doi = {10.17188/1751059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}