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Title: Materials Data on BaP2(HO)2 by Materials Project

Abstract

BaP2(HO)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two BaP2(HO)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.07 Å. P1+ is bonded in a distorted single-bond geometry to one H and one O2- atom. The P–H bond length is 1.44 Å. The P–O bond length is 1.66 Å. H is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one P1+ atom.

Publication Date:
Other Number(s):
mp-1214602
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; BaP2(HO)2; Ba-H-O-P
OSTI Identifier:
1662290
DOI:
https://doi.org/10.17188/1662290

Citation Formats

The Materials Project. Materials Data on BaP2(HO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662290.
The Materials Project. Materials Data on BaP2(HO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662290
The Materials Project. 2020. "Materials Data on BaP2(HO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662290. https://www.osti.gov/servlets/purl/1662290. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1662290,
title = {Materials Data on BaP2(HO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaP2(HO)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two BaP2(HO)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.07 Å. P1+ is bonded in a distorted single-bond geometry to one H and one O2- atom. The P–H bond length is 1.44 Å. The P–O bond length is 1.66 Å. H is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one P1+ atom.},
doi = {10.17188/1662290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}