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Title: Materials Data on GdTc3 by Materials Project

Abstract

GdTc3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. There are three inequivalent Tc1- sites. In the first Tc1- site, Tc1- is bonded to four Gd3+ and four Tc1- atoms to form a mixture of distorted edge, corner, and face-sharing TcGd4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.80 Å. In the second Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms. In the third Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms.

Publication Date:
Other Number(s):
mp-1184715
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; GdTc3; Gd-Tc
OSTI Identifier:
1662765
DOI:
https://doi.org/10.17188/1662765

Citation Formats

The Materials Project. Materials Data on GdTc3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662765.
The Materials Project. Materials Data on GdTc3 by Materials Project. United States. doi:https://doi.org/10.17188/1662765
The Materials Project. 2019. "Materials Data on GdTc3 by Materials Project". United States. doi:https://doi.org/10.17188/1662765. https://www.osti.gov/servlets/purl/1662765. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1662765,
title = {Materials Data on GdTc3 by Materials Project},
author = {The Materials Project},
abstractNote = {GdTc3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. There are three inequivalent Tc1- sites. In the first Tc1- site, Tc1- is bonded to four Gd3+ and four Tc1- atoms to form a mixture of distorted edge, corner, and face-sharing TcGd4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.80 Å. In the second Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms. In the third Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms.},
doi = {10.17188/1662765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}