U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbPO3 by Materials Project
Abstract
RbPO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.36 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.39 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.36 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. In the third P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.50 Å) and one longer (1.51more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179733
- 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; RbPO3; O-P-Rb
- OSTI Identifier:
- 1731925
- DOI:
- https://doi.org/10.17188/1731925
Citation Formats
The Materials Project. Materials Data on RbPO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731925.
The Materials Project. Materials Data on RbPO3 by Materials Project. United States. doi:https://doi.org/10.17188/1731925
The Materials Project. 2020.
"Materials Data on RbPO3 by Materials Project". United States. doi:https://doi.org/10.17188/1731925. https://www.osti.gov/servlets/purl/1731925. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1731925,
title = {Materials Data on RbPO3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.36 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.39 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.36 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. In the third P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+ and one O2- atom. The O–O bond length is 1.26 Å. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Rb1+ and one O2- atom. The O–O bond length is 2.58 Å. In the seventh O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Rb1+ and two O2- atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one P5+ atom.},
doi = {10.17188/1731925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}