DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb2ZrF6 by Materials Project

Abstract

Rb2ZrF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with six equivalent RbF12 cuboctahedra, corners with three equivalent ZrF6 octahedra, faces with eight equivalent RbF12 cuboctahedra, and faces with three equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Rb–F bond distances ranging from 2.96–3.27 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with six equivalent RbF12 cuboctahedra. All Zr–F bond lengths are 2.05 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Zr4+ atom.

Publication Date:
Other Number(s):
mp-13946
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; Rb2ZrF6; F-Rb-Zr
OSTI Identifier:
1189833
DOI:
https://doi.org/10.17188/1189833

Citation Formats

The Materials Project. Materials Data on Rb2ZrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189833.
The Materials Project. Materials Data on Rb2ZrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1189833
The Materials Project. 2020. "Materials Data on Rb2ZrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1189833. https://www.osti.gov/servlets/purl/1189833. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189833,
title = {Materials Data on Rb2ZrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZrF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with six equivalent RbF12 cuboctahedra, corners with three equivalent ZrF6 octahedra, faces with eight equivalent RbF12 cuboctahedra, and faces with three equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Rb–F bond distances ranging from 2.96–3.27 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with six equivalent RbF12 cuboctahedra. All Zr–F bond lengths are 2.05 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Zr4+ atom.},
doi = {10.17188/1189833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}