U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoP(H4O3)3 by Materials Project
Abstract
CoPH8O7(H2O)2 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of eight water molecules and two CoPH8O7 ribbons oriented in the (1, 0, 0) direction. In each CoPH8O7 ribbon, Co1+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.17 Å. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are four inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203842
- 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:
- 1689600
- DOI:
- https://doi.org/10.17188/1689600
Citation Formats
The Materials Project. Materials Data on CoP(H4O3)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1689600.
The Materials Project. Materials Data on CoP(H4O3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1689600
The Materials Project. 2019.
"Materials Data on CoP(H4O3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1689600. https://www.osti.gov/servlets/purl/1689600. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689600,
title = {Materials Data on CoP(H4O3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoPH8O7(H2O)2 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of eight water molecules and two CoPH8O7 ribbons oriented in the (1, 0, 0) direction. In each CoPH8O7 ribbon, Co1+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.17 Å. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one P5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Co1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Co1+ and two H1+ atoms.},
doi = {10.17188/1689600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}