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Title: Materials Data on Rb3(MoO3)10 by Materials Project

Abstract

Rb3(MoO3)10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.40 Å. In the second 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 2.86–3.05 Å. There are three inequivalent Mo+5.70+ sites. In the first Mo+5.70+ site, Mo+5.70+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.36 Å. In the second Mo+5.70+ site, Mo+5.70+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.37 Å. In the third Mo+5.70+ site, Mo+5.70+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.41 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo+5.70+ atoms. In the second O2- site, O2- is bonded in amore » distorted T-shaped geometry to three Mo+5.70+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.70+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Mo+5.70+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one Mo+5.70+ atom. In the sixth O2- site, O2- is bonded to one Rb1+ and three Mo+5.70+ atoms to form distorted corner-sharing ORbMo3 tetrahedra. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one Mo+5.70+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.70+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent Mo+5.70+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Mo+5.70+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one Mo+5.70+ atom.« less

Publication Date:
Other Number(s):
mp-1202770
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; Rb3(MoO3)10; Mo-O-Rb
OSTI Identifier:
1686547
DOI:
https://doi.org/10.17188/1686547

Citation Formats

The Materials Project. Materials Data on Rb3(MoO3)10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686547.
The Materials Project. Materials Data on Rb3(MoO3)10 by Materials Project. United States. doi:https://doi.org/10.17188/1686547
The Materials Project. 2020. "Materials Data on Rb3(MoO3)10 by Materials Project". United States. doi:https://doi.org/10.17188/1686547. https://www.osti.gov/servlets/purl/1686547. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1686547,
title = {Materials Data on Rb3(MoO3)10 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3(MoO3)10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.40 Å. In the second 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 2.86–3.05 Å. There are three inequivalent Mo+5.70+ sites. In the first Mo+5.70+ site, Mo+5.70+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.36 Å. In the second Mo+5.70+ site, Mo+5.70+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.37 Å. In the third Mo+5.70+ site, Mo+5.70+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.41 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo+5.70+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Mo+5.70+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.70+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Mo+5.70+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one Mo+5.70+ atom. In the sixth O2- site, O2- is bonded to one Rb1+ and three Mo+5.70+ atoms to form distorted corner-sharing ORbMo3 tetrahedra. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one Mo+5.70+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.70+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent Mo+5.70+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Mo+5.70+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one Mo+5.70+ atom.},
doi = {10.17188/1686547},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}