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Title: Materials Data on TbCsF5 by Materials Project

Abstract

CsTbF5 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.05–3.52 Å. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.21–2.32 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tb4+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Tb4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cs1+ and two equivalent Tb4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Tb4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28449
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; TbCsF5; Cs-F-Tb
OSTI Identifier:
1202553
DOI:
https://doi.org/10.17188/1202553

Citation Formats

The Materials Project. Materials Data on TbCsF5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1202553.
The Materials Project. Materials Data on TbCsF5 by Materials Project. United States. doi:https://doi.org/10.17188/1202553
The Materials Project. 2017. "Materials Data on TbCsF5 by Materials Project". United States. doi:https://doi.org/10.17188/1202553. https://www.osti.gov/servlets/purl/1202553. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1202553,
title = {Materials Data on TbCsF5 by Materials Project},
author = {The Materials Project},
abstractNote = {CsTbF5 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.05–3.52 Å. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.21–2.32 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tb4+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Tb4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cs1+ and two equivalent Tb4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Tb4+ atoms.},
doi = {10.17188/1202553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}