U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-558514
- 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; RbZrCdF7; Cd-F-Rb-Zr
- OSTI Identifier:
- 1270370
- DOI:
- https://doi.org/10.17188/1270370
Citation Formats
The Materials Project. Materials Data on RbZrCdF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270370.
The Materials Project. Materials Data on RbZrCdF7 by Materials Project. United States. doi:https://doi.org/10.17188/1270370
The Materials Project. 2020.
"Materials Data on RbZrCdF7 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}