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Title: Materials Data on RbAsOF4 by Materials Project

Abstract

RbAsOF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to one O2- and nine F1- atoms. The Rb–O bond length is 3.04 Å. There are a spread of Rb–F bond distances ranging from 2.91–3.37 Å. As5+ is bonded to two equivalent O2- and four F1- atoms to form edge-sharing AsO2F4 octahedra. Both As–O bond lengths are 1.83 Å. There are a spread of As–F bond distances ranging from 1.79–1.82 Å. O2- is bonded in a distorted L-shaped geometry to one Rb1+ and two equivalent As5+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17337
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; RbAsOF4; As-F-O-Rb
OSTI Identifier:
1192456
DOI:
https://doi.org/10.17188/1192456

Citation Formats

The Materials Project. Materials Data on RbAsOF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192456.
The Materials Project. Materials Data on RbAsOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1192456
The Materials Project. 2020. "Materials Data on RbAsOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1192456. https://www.osti.gov/servlets/purl/1192456. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192456,
title = {Materials Data on RbAsOF4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAsOF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to one O2- and nine F1- atoms. The Rb–O bond length is 3.04 Å. There are a spread of Rb–F bond distances ranging from 2.91–3.37 Å. As5+ is bonded to two equivalent O2- and four F1- atoms to form edge-sharing AsO2F4 octahedra. Both As–O bond lengths are 1.83 Å. There are a spread of As–F bond distances ranging from 1.79–1.82 Å. O2- is bonded in a distorted L-shaped geometry to one Rb1+ and two equivalent As5+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom.},
doi = {10.17188/1192456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}