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Title: Materials Data on Re3Br7 by Materials Project

Abstract

Re3Br7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re3Br7 clusters. there are six inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. The Re–Re bond length is 2.31 Å. There are a spread of Re–Br bond distances ranging from 2.48–3.21 Å. In the second Re site, Re is bonded in a 3-coordinate geometry to three Re and four Br atoms. There are a spread of Re–Re bond distances ranging from 2.31–2.73 Å. There are a spread of Re–Br bond distances ranging from 2.48–2.88 Å. In the third Re site, Re is bonded in a 4-coordinate geometry to three Re and four Br atoms. The Re–Re bond length is 2.65 Å. There are a spread of Re–Br bond distances ranging from 2.49–2.78 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to two Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.49–3.24 Å. In the fifth Re site, Re is bonded in a distorted see-saw-like geometry to four Br atoms. There are a spread of Re–Br bond distances rangingmore » from 2.44–2.58 Å. In the sixth Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.48–3.19 Å. There are fourteen inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Re atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the third Br site, Br is bonded in a distorted single-bond geometry to three Re atoms. In the fourth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fifth Br site, Br is bonded in a single-bond geometry to one Re atom. In the sixth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the seventh Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the eighth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the ninth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the tenth Br site, Br is bonded in a 1-coordinate geometry to three Re atoms. In the eleventh Br site, Br is bonded in a single-bond geometry to one Re atom. In the twelfth Br site, Br is bonded in a single-bond geometry to one Re atom. In the thirteenth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fourteenth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1210365
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; Re3Br7; Br-Re
OSTI Identifier:
1674792
DOI:
https://doi.org/10.17188/1674792

Citation Formats

The Materials Project. Materials Data on Re3Br7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674792.
The Materials Project. Materials Data on Re3Br7 by Materials Project. United States. doi:https://doi.org/10.17188/1674792
The Materials Project. 2020. "Materials Data on Re3Br7 by Materials Project". United States. doi:https://doi.org/10.17188/1674792. https://www.osti.gov/servlets/purl/1674792. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1674792,
title = {Materials Data on Re3Br7 by Materials Project},
author = {The Materials Project},
abstractNote = {Re3Br7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re3Br7 clusters. there are six inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. The Re–Re bond length is 2.31 Å. There are a spread of Re–Br bond distances ranging from 2.48–3.21 Å. In the second Re site, Re is bonded in a 3-coordinate geometry to three Re and four Br atoms. There are a spread of Re–Re bond distances ranging from 2.31–2.73 Å. There are a spread of Re–Br bond distances ranging from 2.48–2.88 Å. In the third Re site, Re is bonded in a 4-coordinate geometry to three Re and four Br atoms. The Re–Re bond length is 2.65 Å. There are a spread of Re–Br bond distances ranging from 2.49–2.78 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to two Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.49–3.24 Å. In the fifth Re site, Re is bonded in a distorted see-saw-like geometry to four Br atoms. There are a spread of Re–Br bond distances ranging from 2.44–2.58 Å. In the sixth Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.48–3.19 Å. There are fourteen inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Re atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the third Br site, Br is bonded in a distorted single-bond geometry to three Re atoms. In the fourth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fifth Br site, Br is bonded in a single-bond geometry to one Re atom. In the sixth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the seventh Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the eighth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the ninth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the tenth Br site, Br is bonded in a 1-coordinate geometry to three Re atoms. In the eleventh Br site, Br is bonded in a single-bond geometry to one Re atom. In the twelfth Br site, Br is bonded in a single-bond geometry to one Re atom. In the thirteenth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fourteenth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms.},
doi = {10.17188/1674792},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}