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Title: Materials Data on RbZrCdF7 by Materials Project

Abstract

RbZrCdF7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 3.03–3.36 Å. Zr4+ is bonded to seven F1- atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent CdF7 pentagonal bipyramids and edges with two equivalent CdF7 pentagonal bipyramids. There are a spread of Zr–F bond distances ranging from 2.05–2.14 Å. Cd2+ is bonded to seven F1- atoms to form CdF7 pentagonal bipyramids that share corners with three equivalent ZrF7 pentagonal bipyramids and edges with two equivalent ZrF7 pentagonal bipyramids. There are a spread of Cd–F bond distances ranging from 2.28–2.36 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Rb1+, one Zr4+, and one Cd2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Zr4+, and one Cd2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Zr4+, and one Cd2+ atom. In the fourth F1- site, F1- is bonded in a linearmore » geometry to one Zr4+ and one Cd2+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558514
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; RbZrCdF7; Cd-F-Rb-Zr
OSTI Identifier:
1270370
DOI:
10.17188/1270370

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbZrCdF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270370.
Persson, Kristin, & Project, Materials. Materials Data on RbZrCdF7 by Materials Project. United States. doi:10.17188/1270370.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbZrCdF7 by Materials Project". United States. doi:10.17188/1270370. https://www.osti.gov/servlets/purl/1270370. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1270370,
title = {Materials Data on RbZrCdF7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbZrCdF7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 3.03–3.36 Å. Zr4+ is bonded to seven F1- atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent CdF7 pentagonal bipyramids and edges with two equivalent CdF7 pentagonal bipyramids. There are a spread of Zr–F bond distances ranging from 2.05–2.14 Å. Cd2+ is bonded to seven F1- atoms to form CdF7 pentagonal bipyramids that share corners with three equivalent ZrF7 pentagonal bipyramids and edges with two equivalent ZrF7 pentagonal bipyramids. There are a spread of Cd–F bond distances ranging from 2.28–2.36 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Rb1+, one Zr4+, and one Cd2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Zr4+, and one Cd2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Zr4+, and one Cd2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Zr4+ and one Cd2+ atom.},
doi = {10.17188/1270370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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