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Title: Materials Data on Tb6Br7 by Materials Project

Abstract

Tb6Br7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted rectangular see-saw-like geometry to four Br atoms. There are a spread of Tb–Br bond distances ranging from 2.82–3.08 Å. In the second Tb site, Tb is bonded in a 3-coordinate geometry to three Br atoms. There are one shorter (3.00 Å) and two longer (3.02 Å) Tb–Br bond lengths. In the third Tb site, Tb is bonded to five Br atoms to form distorted edge-sharing TbBr5 square pyramids. There are a spread of Tb–Br bond distances ranging from 2.88–3.17 Å. There are four inequivalent Br sites. In the first Br site, Br is bonded in a square co-planar geometry to four equivalent Tb atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms. In the third Br site, Br is bonded in a distorted see-saw-like geometry to four Tb atoms. In the fourth Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms.

Publication Date:
Other Number(s):
mp-30985
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; Tb6Br7; Br-Tb
OSTI Identifier:
1205321
DOI:
https://doi.org/10.17188/1205321

Citation Formats

The Materials Project. Materials Data on Tb6Br7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205321.
The Materials Project. Materials Data on Tb6Br7 by Materials Project. United States. doi:https://doi.org/10.17188/1205321
The Materials Project. 2020. "Materials Data on Tb6Br7 by Materials Project". United States. doi:https://doi.org/10.17188/1205321. https://www.osti.gov/servlets/purl/1205321. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205321,
title = {Materials Data on Tb6Br7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb6Br7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted rectangular see-saw-like geometry to four Br atoms. There are a spread of Tb–Br bond distances ranging from 2.82–3.08 Å. In the second Tb site, Tb is bonded in a 3-coordinate geometry to three Br atoms. There are one shorter (3.00 Å) and two longer (3.02 Å) Tb–Br bond lengths. In the third Tb site, Tb is bonded to five Br atoms to form distorted edge-sharing TbBr5 square pyramids. There are a spread of Tb–Br bond distances ranging from 2.88–3.17 Å. There are four inequivalent Br sites. In the first Br site, Br is bonded in a square co-planar geometry to four equivalent Tb atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms. In the third Br site, Br is bonded in a distorted see-saw-like geometry to four Tb atoms. In the fourth Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms.},
doi = {10.17188/1205321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}