U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbP2H5O8 by Materials Project
Abstract
RbH5(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (3.03 Å) and two longer (3.04 Å) Rb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.48 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Rb1+, one P5+, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199511
- 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; RbP2H5O8; H-O-P-Rb
- OSTI Identifier:
- 1688965
- DOI:
- https://doi.org/10.17188/1688965
Citation Formats
The Materials Project. Materials Data on RbP2H5O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688965.
The Materials Project. Materials Data on RbP2H5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1688965
The Materials Project. 2020.
"Materials Data on RbP2H5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1688965. https://www.osti.gov/servlets/purl/1688965. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688965,
title = {Materials Data on RbP2H5O8 by Materials Project},
author = {The Materials Project},
abstractNote = {RbH5(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (3.03 Å) and two longer (3.04 Å) Rb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.48 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom.},
doi = {10.17188/1688965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}