U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoP(H4O3)3 by Materials Project
Abstract
CoPH2O5H2(H2O)4 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four dihydrogen molecules, sixteen water molecules, and two CoPH2O5 clusters. In each CoPH2O5 cluster, Co1+ is bonded to four O2- atoms to form distorted edge-sharing CoO4 trigonal pyramids. There is two shorter (1.83 Å) and two longer (2.08 Å) Co–O bond length. P5+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.56 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one H1+ and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co1+ and one O2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182524
- 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; CoP(H4O3)3; Co-H-O-P
- OSTI Identifier:
- 1664244
- DOI:
- https://doi.org/10.17188/1664244
Citation Formats
The Materials Project. Materials Data on CoP(H4O3)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1664244.
The Materials Project. Materials Data on CoP(H4O3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1664244
The Materials Project. 2019.
"Materials Data on CoP(H4O3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1664244. https://www.osti.gov/servlets/purl/1664244. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1664244,
title = {Materials Data on CoP(H4O3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoPH2O5H2(H2O)4 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four dihydrogen molecules, sixteen water molecules, and two CoPH2O5 clusters. In each CoPH2O5 cluster, Co1+ is bonded to four O2- atoms to form distorted edge-sharing CoO4 trigonal pyramids. There is two shorter (1.83 Å) and two longer (2.08 Å) Co–O bond length. P5+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.56 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one H1+ and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co1+ and one O2- atom.},
doi = {10.17188/1664244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}