skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaLiP by Materials Project

Abstract

LiBaP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.62 Å. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of corner, edge, and face-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ba–P bond lengths are 3.41 Å. P3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1189496
Report Number(s):
mp-13277
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; BaLiP; Ba-Li-P

Citation Formats

The Materials Project. Materials Data on BaLiP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189496.
The Materials Project. Materials Data on BaLiP by Materials Project. United States. https://doi.org/10.17188/1189496
The Materials Project. 2020. "Materials Data on BaLiP by Materials Project". United States. https://doi.org/10.17188/1189496. https://www.osti.gov/servlets/purl/1189496.
@article{osti_1189496,
title = {Materials Data on BaLiP by Materials Project},
author = {The Materials Project},
abstractNote = {LiBaP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.62 Å. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of corner, edge, and face-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ba–P bond lengths are 3.41 Å. P3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.},
doi = {10.17188/1189496},
url = {https://www.osti.gov/biblio/1189496}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}