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Title: Materials Data on Rb3Mo12PO40 by Materials Project

Abstract

(Rb(MoO3)4)3PO4 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of two phosphoric acid molecules and one Rb(MoO3)4 framework. In the Rb(MoO3)4 framework, Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 3.21–3.41 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.71 Å) and four longer (1.94 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two equivalent Mo6+ atoms.

Publication Date:
Other Number(s):
mp-579304
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3Mo12PO40; Mo-O-P-Rb
OSTI Identifier:
1276689
DOI:
https://doi.org/10.17188/1276689

Citation Formats

The Materials Project. Materials Data on Rb3Mo12PO40 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1276689.
The Materials Project. Materials Data on Rb3Mo12PO40 by Materials Project. United States. doi:https://doi.org/10.17188/1276689
The Materials Project. 2017. "Materials Data on Rb3Mo12PO40 by Materials Project". United States. doi:https://doi.org/10.17188/1276689. https://www.osti.gov/servlets/purl/1276689. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1276689,
title = {Materials Data on Rb3Mo12PO40 by Materials Project},
author = {The Materials Project},
abstractNote = {(Rb(MoO3)4)3PO4 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of two phosphoric acid molecules and one Rb(MoO3)4 framework. In the Rb(MoO3)4 framework, Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 3.21–3.41 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.71 Å) and four longer (1.94 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two equivalent Mo6+ atoms.},
doi = {10.17188/1276689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}