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Title: Materials Data on RbBiF3 by Materials Project

Abstract

RbBiF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.73–3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.73–3.09 Å. There are two inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 2.23–2.51 Å. In the second Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 2.22–2.59 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to three Rb1+ and one Bi2+ atom to form a mixture of distorted edge and corner-sharing FRb3Bi tetrahedra. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to one Rb1+ and two Bi2+ atoms. In the third F1- site, F1- is bonded in a trigonal non-coplanarmore » geometry to one Rb1+ and two Bi2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and one Bi2+ atom. In the fifth F1- site, F1- is bonded to three Rb1+ and one Bi2+ atom to form a mixture of distorted edge and corner-sharing FRb3Bi tetrahedra. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and one Bi2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-677028
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; RbBiF3; Bi-F-Rb
OSTI Identifier:
1283237
DOI:
https://doi.org/10.17188/1283237

Citation Formats

The Materials Project. Materials Data on RbBiF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283237.
The Materials Project. Materials Data on RbBiF3 by Materials Project. United States. doi:https://doi.org/10.17188/1283237
The Materials Project. 2020. "Materials Data on RbBiF3 by Materials Project". United States. doi:https://doi.org/10.17188/1283237. https://www.osti.gov/servlets/purl/1283237. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1283237,
title = {Materials Data on RbBiF3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbBiF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.73–3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.73–3.09 Å. There are two inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 2.23–2.51 Å. In the second Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 2.22–2.59 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to three Rb1+ and one Bi2+ atom to form a mixture of distorted edge and corner-sharing FRb3Bi tetrahedra. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to one Rb1+ and two Bi2+ atoms. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to one Rb1+ and two Bi2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and one Bi2+ atom. In the fifth F1- site, F1- is bonded to three Rb1+ and one Bi2+ atom to form a mixture of distorted edge and corner-sharing FRb3Bi tetrahedra. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and one Bi2+ atom.},
doi = {10.17188/1283237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}