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Title: Materials Data on Rb2Mo(OF2)2 by Materials Project

Abstract

Rb2MoO2F4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to four equivalent O2- and seven F1- atoms. There are two shorter (3.03 Å) and two longer (3.31 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.86–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to four equivalent O2- and seven F1- atoms. There are two shorter (3.09 Å) and two longer (3.20 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.04–3.14 Å. Mo6+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mo–O bond lengths are 1.82 Å. There are a spread of Mo–F bond distances ranging from 1.94–2.00 Å. O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+more » and one Mo6+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom.« less

Publication Date:
Other Number(s):
mp-1219781
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; Rb2Mo(OF2)2; F-Mo-O-Rb
OSTI Identifier:
1759515
DOI:
https://doi.org/10.17188/1759515

Citation Formats

The Materials Project. Materials Data on Rb2Mo(OF2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759515.
The Materials Project. Materials Data on Rb2Mo(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1759515
The Materials Project. 2020. "Materials Data on Rb2Mo(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1759515. https://www.osti.gov/servlets/purl/1759515. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759515,
title = {Materials Data on Rb2Mo(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2MoO2F4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to four equivalent O2- and seven F1- atoms. There are two shorter (3.03 Å) and two longer (3.31 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.86–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to four equivalent O2- and seven F1- atoms. There are two shorter (3.09 Å) and two longer (3.20 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.04–3.14 Å. Mo6+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mo–O bond lengths are 1.82 Å. There are a spread of Mo–F bond distances ranging from 1.94–2.00 Å. O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Mo6+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom.},
doi = {10.17188/1759515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}