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Title: Materials Data on Na3BrO by Materials Project

Abstract

Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Na–O bond lengths are 2.30 Å. All Na–Br bond lengths are 3.25 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent BrNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Na1+ atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent BrNa12 cuboctahedra, faces with six equivalent BrNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.

Publication Date:
Other Number(s):
mp-985586
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; Na3BrO; Br-Na-O
OSTI Identifier:
1316726
DOI:
https://doi.org/10.17188/1316726

Citation Formats

The Materials Project. Materials Data on Na3BrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316726.
The Materials Project. Materials Data on Na3BrO by Materials Project. United States. doi:https://doi.org/10.17188/1316726
The Materials Project. 2020. "Materials Data on Na3BrO by Materials Project". United States. doi:https://doi.org/10.17188/1316726. https://www.osti.gov/servlets/purl/1316726. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316726,
title = {Materials Data on Na3BrO by Materials Project},
author = {The Materials Project},
abstractNote = {Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Na–O bond lengths are 2.30 Å. All Na–Br bond lengths are 3.25 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent BrNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Na1+ atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent BrNa12 cuboctahedra, faces with six equivalent BrNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.},
doi = {10.17188/1316726},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}