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Title: Materials Data on Ba3BiP by Materials Project

Abstract

Ba3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ba–Bi bond lengths are 4.34 Å. Both Ba–P bond lengths are 3.07 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent PBa6 octahedra. P is bonded to six equivalent Ba atoms to form PBa6 octahedra that share corners with six equivalent PBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1013691
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; Ba3BiP; Ba-Bi-P
OSTI Identifier:
1330141
DOI:
10.17188/1330141

Citation Formats

The Materials Project. Materials Data on Ba3BiP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330141.
The Materials Project. Materials Data on Ba3BiP by Materials Project. United States. doi:10.17188/1330141.
The Materials Project. 2020. "Materials Data on Ba3BiP by Materials Project". United States. doi:10.17188/1330141. https://www.osti.gov/servlets/purl/1330141. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330141,
title = {Materials Data on Ba3BiP by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ba–Bi bond lengths are 4.34 Å. Both Ba–P bond lengths are 3.07 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent PBa6 octahedra. P is bonded to six equivalent Ba atoms to form PBa6 octahedra that share corners with six equivalent PBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330141},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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