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Title: Materials Data on LiZnRhF6 by Materials Project

Abstract

LiRhZnF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent RhF6 octahedra, corners with four equivalent ZnF6 octahedra, an edgeedge with one RhF6 octahedra, and an edgeedge with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.06 Å) and two longer (2.07 Å) Li–F bond lengths. Rh3+ is bonded to six F1- atoms to form RhF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent ZnF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Rh–F bond lengths are 2.02 Å. Zn2+ is bonded to six F1- atoms to form ZnF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent RhF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one RhF6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are four shorter (2.06 Å) and two longer (2.09 Å) Zn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site,more » F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Rh3+, and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Rh3+, and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Rh3+, and one Zn2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1222336
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; LiZnRhF6; F-Li-Rh-Zn
OSTI Identifier:
1749119
DOI:
https://doi.org/10.17188/1749119

Citation Formats

The Materials Project. Materials Data on LiZnRhF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749119.
The Materials Project. Materials Data on LiZnRhF6 by Materials Project. United States. doi:https://doi.org/10.17188/1749119
The Materials Project. 2020. "Materials Data on LiZnRhF6 by Materials Project". United States. doi:https://doi.org/10.17188/1749119. https://www.osti.gov/servlets/purl/1749119. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1749119,
title = {Materials Data on LiZnRhF6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiRhZnF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent RhF6 octahedra, corners with four equivalent ZnF6 octahedra, an edgeedge with one RhF6 octahedra, and an edgeedge with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.06 Å) and two longer (2.07 Å) Li–F bond lengths. Rh3+ is bonded to six F1- atoms to form RhF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent ZnF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Rh–F bond lengths are 2.02 Å. Zn2+ is bonded to six F1- atoms to form ZnF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent RhF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one RhF6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are four shorter (2.06 Å) and two longer (2.09 Å) Zn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Rh3+, and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Rh3+, and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Rh3+, and one Zn2+ atom.},
doi = {10.17188/1749119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}