DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba3P2 by Materials Project

Abstract

Ba3P2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ba3P framework. In the Ba3P framework, Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.02 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1013551
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; Ba3P2; Ba-P
OSTI Identifier:
1330030
DOI:
https://doi.org/10.17188/1330030

Citation Formats

The Materials Project. Materials Data on Ba3P2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330030.
The Materials Project. Materials Data on Ba3P2 by Materials Project. United States. doi:https://doi.org/10.17188/1330030
The Materials Project. 2020. "Materials Data on Ba3P2 by Materials Project". United States. doi:https://doi.org/10.17188/1330030. https://www.osti.gov/servlets/purl/1330030. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330030,
title = {Materials Data on Ba3P2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3P2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ba3P framework. In the Ba3P framework, Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.02 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}