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Title: Materials Data on Ba3BiAs by Materials Project

Abstract

Ba3AsBi is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one bismuth molecule and one Ba3As framework. In the Ba3As framework, Ba is bonded in a linear geometry to two equivalent As atoms. Both Ba–As bond lengths are 3.12 Å. As is bonded to six equivalent Ba atoms to form corner-sharing AsBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1013563
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; Ba3BiAs; As-Ba-Bi
OSTI Identifier:
1330041
DOI:
10.17188/1330041

Citation Formats

The Materials Project. Materials Data on Ba3BiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330041.
The Materials Project. Materials Data on Ba3BiAs by Materials Project. United States. doi:10.17188/1330041.
The Materials Project. 2020. "Materials Data on Ba3BiAs by Materials Project". United States. doi:10.17188/1330041. https://www.osti.gov/servlets/purl/1330041. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330041,
title = {Materials Data on Ba3BiAs by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3AsBi is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one bismuth molecule and one Ba3As framework. In the Ba3As framework, Ba is bonded in a linear geometry to two equivalent As atoms. Both Ba–As bond lengths are 3.12 Å. As is bonded to six equivalent Ba atoms to form corner-sharing AsBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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