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Title: Materials Data on BaP2(HO)4 by Materials Project

Abstract

Ba(H2PO2)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Ba(H2PO2)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.82 Å) and four longer (2.83 Å) Ba–O bond lengths. P1+ is bonded in a distorted tetrahedral geometry to two equivalent H1+ and two equivalent O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. H1+ is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642646
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)4; Ba-H-O-P
OSTI Identifier:
1280136
DOI:
10.17188/1280136

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaP2(HO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280136.
Persson, Kristin, & Project, Materials. Materials Data on BaP2(HO)4 by Materials Project. United States. doi:10.17188/1280136.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaP2(HO)4 by Materials Project". United States. doi:10.17188/1280136. https://www.osti.gov/servlets/purl/1280136. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280136,
title = {Materials Data on BaP2(HO)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba(H2PO2)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Ba(H2PO2)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.82 Å) and four longer (2.83 Å) Ba–O bond lengths. P1+ is bonded in a distorted tetrahedral geometry to two equivalent H1+ and two equivalent O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. H1+ is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P1+ atom.},
doi = {10.17188/1280136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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