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Title: Materials Data on Na2SO5 by Materials Project

Abstract

Na2SO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are four shorter (2.34 Å) and two longer (2.46 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 1-coordinate geometry to five O atoms. There are one shorter (2.36 Å) and four longer (2.47 Å) Na–O bond lengths. S is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All S–O bond lengths are 1.67 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Na atoms. In the second O site, O is bonded in a 3-coordinate geometry to two Na and one S atom.

Publication Date:
Other Number(s):
mp-1180310
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; Na2SO5; Na-O-S
OSTI Identifier:
1744411
DOI:
https://doi.org/10.17188/1744411

Citation Formats

The Materials Project. Materials Data on Na2SO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744411.
The Materials Project. Materials Data on Na2SO5 by Materials Project. United States. doi:https://doi.org/10.17188/1744411
The Materials Project. 2020. "Materials Data on Na2SO5 by Materials Project". United States. doi:https://doi.org/10.17188/1744411. https://www.osti.gov/servlets/purl/1744411. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744411,
title = {Materials Data on Na2SO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2SO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are four shorter (2.34 Å) and two longer (2.46 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 1-coordinate geometry to five O atoms. There are one shorter (2.36 Å) and four longer (2.47 Å) Na–O bond lengths. S is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All S–O bond lengths are 1.67 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Na atoms. In the second O site, O is bonded in a 3-coordinate geometry to two Na and one S atom.},
doi = {10.17188/1744411},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}