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:
- Publication Date:
- Other Number(s):
- mp-642646
- 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; BaP2(HO)4; Ba-H-O-P
- OSTI Identifier:
- 1280136
- DOI:
- https://doi.org/10.17188/1280136
Citation Formats
The Materials Project. Materials Data on BaP2(HO)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280136.
The Materials Project. Materials Data on BaP2(HO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1280136
The Materials Project. 2020.
"Materials Data on BaP2(HO)4 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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 = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.