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Title: Materials Data on Ba3PN by Materials Project

Abstract

(Ba3P)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia 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 3.03 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1013707
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; Ba3PN; Ba-N-P
OSTI Identifier:
1330147
DOI:
10.17188/1330147

Citation Formats

The Materials Project. Materials Data on Ba3PN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330147.
The Materials Project. Materials Data on Ba3PN by Materials Project. United States. doi:10.17188/1330147.
The Materials Project. 2020. "Materials Data on Ba3PN by Materials Project". United States. doi:10.17188/1330147. https://www.osti.gov/servlets/purl/1330147. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1330147,
title = {Materials Data on Ba3PN by Materials Project},
author = {The Materials Project},
abstractNote = {(Ba3P)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia 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 3.03 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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