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Title: Materials Data on Rb2ZnF4 by Materials Project

Abstract

Rb2ZnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–2.98 Å. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.04 Å) and four longer (2.11 Å) Zn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded to five equivalent Rb1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing FRb5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–1°.

Authors:
Publication Date:
Other Number(s):
mp-1025286
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; Rb2ZnF4; F-Rb-Zn
OSTI Identifier:
1355649
DOI:
https://doi.org/10.17188/1355649

Citation Formats

The Materials Project. Materials Data on Rb2ZnF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355649.
The Materials Project. Materials Data on Rb2ZnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1355649
The Materials Project. 2020. "Materials Data on Rb2ZnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1355649. https://www.osti.gov/servlets/purl/1355649. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1355649,
title = {Materials Data on Rb2ZnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–2.98 Å. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.04 Å) and four longer (2.11 Å) Zn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded to five equivalent Rb1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing FRb5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1355649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}