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Title: Materials Data on NaAsO3 by Materials Project

Abstract

NaAsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent AsO6 octahedra. All Na–O bond lengths are 2.63 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 1.86 Å. O2- is bonded to four equivalent Na1+ and two equivalent As5+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4As2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:
Publication Date:
Other Number(s):
mp-976133
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; NaAsO3; As-Na-O
OSTI Identifier:
1314983
DOI:
https://doi.org/10.17188/1314983

Citation Formats

The Materials Project. Materials Data on NaAsO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314983.
The Materials Project. Materials Data on NaAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314983
The Materials Project. 2020. "Materials Data on NaAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314983. https://www.osti.gov/servlets/purl/1314983. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314983,
title = {Materials Data on NaAsO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent AsO6 octahedra. All Na–O bond lengths are 2.63 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 1.86 Å. O2- is bonded to four equivalent Na1+ and two equivalent As5+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4As2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1314983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}