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Title: Materials Data on Te4MoBr by Materials Project

Abstract

MoTe4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mo3+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are a spread of Mo–Te bond distances ranging from 2.75–2.90 Å. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 1-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and three equivalent Br1- atoms. The Te–Te bond length is 2.83 Å. There are a spread of Te–Br bond distances ranging from 2.98–4.06 Å. In the second Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and two equivalent Br1- atoms. There are one shorter (3.81 Å) and one longer (4.06 Å) Te–Br bond lengths. In the third Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and two equivalent Br1- atoms. The Te–Te bond length is 2.71 Å. There are one shorter (3.58 Å) and one longer (4.22 Å) Te–Br bond lengths. In the fourth Te+0.50- site, Te+0.50- is bonded in a 1-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and three equivalent Br1- atoms. There are a spread of Te–Br bond distances ranging from 3.30–4.15 Å. Br1-more » is bonded in a 2-coordinate geometry to ten Te+0.50- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29190
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; Te4MoBr; Br-Mo-Te
OSTI Identifier:
1203475
DOI:
https://doi.org/10.17188/1203475

Citation Formats

The Materials Project. Materials Data on Te4MoBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203475.
The Materials Project. Materials Data on Te4MoBr by Materials Project. United States. doi:https://doi.org/10.17188/1203475
The Materials Project. 2020. "Materials Data on Te4MoBr by Materials Project". United States. doi:https://doi.org/10.17188/1203475. https://www.osti.gov/servlets/purl/1203475. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1203475,
title = {Materials Data on Te4MoBr by Materials Project},
author = {The Materials Project},
abstractNote = {MoTe4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mo3+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are a spread of Mo–Te bond distances ranging from 2.75–2.90 Å. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 1-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and three equivalent Br1- atoms. The Te–Te bond length is 2.83 Å. There are a spread of Te–Br bond distances ranging from 2.98–4.06 Å. In the second Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and two equivalent Br1- atoms. There are one shorter (3.81 Å) and one longer (4.06 Å) Te–Br bond lengths. In the third Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and two equivalent Br1- atoms. The Te–Te bond length is 2.71 Å. There are one shorter (3.58 Å) and one longer (4.22 Å) Te–Br bond lengths. In the fourth Te+0.50- site, Te+0.50- is bonded in a 1-coordinate geometry to two equivalent Mo3+, one Te+0.50-, and three equivalent Br1- atoms. There are a spread of Te–Br bond distances ranging from 3.30–4.15 Å. Br1- is bonded in a 2-coordinate geometry to ten Te+0.50- atoms.},
doi = {10.17188/1203475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}