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Title: Materials Data on RbSi2Mo3P6O25 by Materials Project

Abstract

RbMo3(PO3)6Si2O7 crystallizes in the trigonal P-31c space group. The structure is three-dimensional and consists of two h6si2o7 molecules and one RbMo3(PO3)6 framework. In the RbMo3(PO3)6 framework, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 2.80 Å. There are two inequivalent Mo+3.67+ sites. In the first Mo+3.67+ site, Mo+3.67+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Mo–O bond lengths are 2.19 Å. In the second Mo+3.67+ site, Mo+3.67+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.18 Å) and three longer (2.31 Å) Mo–O bond lengths. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.50 Å) and two longer (1.52 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Mo+3.67+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+3.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+3.67+ and one P5+more » atom.« less

Publication Date:
Other Number(s):
mp-705894
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; RbSi2Mo3P6O25; Mo-O-P-Rb-Si
OSTI Identifier:
1286099
DOI:
https://doi.org/10.17188/1286099

Citation Formats

The Materials Project. Materials Data on RbSi2Mo3P6O25 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286099.
The Materials Project. Materials Data on RbSi2Mo3P6O25 by Materials Project. United States. doi:https://doi.org/10.17188/1286099
The Materials Project. 2020. "Materials Data on RbSi2Mo3P6O25 by Materials Project". United States. doi:https://doi.org/10.17188/1286099. https://www.osti.gov/servlets/purl/1286099. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1286099,
title = {Materials Data on RbSi2Mo3P6O25 by Materials Project},
author = {The Materials Project},
abstractNote = {RbMo3(PO3)6Si2O7 crystallizes in the trigonal P-31c space group. The structure is three-dimensional and consists of two h6si2o7 molecules and one RbMo3(PO3)6 framework. In the RbMo3(PO3)6 framework, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 2.80 Å. There are two inequivalent Mo+3.67+ sites. In the first Mo+3.67+ site, Mo+3.67+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Mo–O bond lengths are 2.19 Å. In the second Mo+3.67+ site, Mo+3.67+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.18 Å) and three longer (2.31 Å) Mo–O bond lengths. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.50 Å) and two longer (1.52 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Mo+3.67+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+3.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+3.67+ and one P5+ atom.},
doi = {10.17188/1286099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}