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Title: Materials Data on TbCd2F8 by Materials Project

Abstract

TbCd2F8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.21 Å) and four longer (2.40 Å) Tb–F bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cd–F bond distances ranging from 2.17–2.39 Å. In the second Cd2+ site, Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cd–F bond distances ranging from 2.17–2.39 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Tb4+ and two Cd2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to onemore » Tb4+ and two Cd2+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1203576
Report Number(s):
mp-29201
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; TbCd2F8; Cd-F-Tb

Citation Formats

The Materials Project. Materials Data on TbCd2F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203576.
The Materials Project. Materials Data on TbCd2F8 by Materials Project. United States. https://doi.org/10.17188/1203576
The Materials Project. 2020. "Materials Data on TbCd2F8 by Materials Project". United States. https://doi.org/10.17188/1203576. https://www.osti.gov/servlets/purl/1203576.
@article{osti_1203576,
title = {Materials Data on TbCd2F8 by Materials Project},
author = {The Materials Project},
abstractNote = {TbCd2F8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.21 Å) and four longer (2.40 Å) Tb–F bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cd–F bond distances ranging from 2.17–2.39 Å. In the second Cd2+ site, Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cd–F bond distances ranging from 2.17–2.39 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Tb4+ and one Cd2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Tb4+ and two Cd2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Tb4+ and two Cd2+ atoms.},
doi = {10.17188/1203576},
url = {https://www.osti.gov/biblio/1203576}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}