U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P(HO)4 by Materials Project
Abstract
P(HO)4 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. P4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.53 Å) and one longer (1.58 Å) P–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.55 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P4+ and one H1+ atom. In the second O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-27278
- 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; P(HO)4; H-O-P
- OSTI Identifier:
- 1201480
- DOI:
- https://doi.org/10.17188/1201480
Citation Formats
The Materials Project. Materials Data on P(HO)4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1201480.
The Materials Project. Materials Data on P(HO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1201480
The Materials Project. 2017.
"Materials Data on P(HO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1201480. https://www.osti.gov/servlets/purl/1201480. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1201480,
title = {Materials Data on P(HO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {P(HO)4 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. P4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.53 Å) and one longer (1.58 Å) P–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.55 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.51 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P4+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one P4+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one P4+ and two H1+ atoms.},
doi = {10.17188/1201480},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 24 00:00:00 EDT 2017},
month = {Mon Jul 24 00:00:00 EDT 2017}
}