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Title: Materials Data on Sb(WBr3)5 by Materials Project

Abstract

W5Br12SbBr3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four antimony tribromide molecules and two W5Br12 ribbons oriented in the (0, 1, 0) direction. In each W5Br12 ribbon, there are ten inequivalent W+3.60+ sites. In the first W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.60–2.65 Å. In the second W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.66 Å. In the third W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.57–2.71 Å. In the fourth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.55–2.66 Å. In the fifth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.57–2.73 Å.more » In the sixth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.59–2.66 Å. In the seventh W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.67 Å. In the eighth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.66 Å. In the ninth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.57–2.70 Å. In the tenth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.56–2.72 Å. There are twenty-four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three W+3.60+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three W+3.60+ atoms. In the third Br1- site, Br1- is bonded in a 10-coordinate geometry to three W+3.60+ atoms. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to three W+3.60+ atoms. In the fifth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the sixth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the seventh Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the eighth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the ninth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the tenth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the eleventh Br1- site, Br1- is bonded in a bent 120 degrees geometry to two W+3.60+ atoms. In the twelfth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the thirteenth Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to two W+3.60+ atoms. In the fourteenth Br1- site, Br1- is bonded in a 8-coordinate geometry to three W+3.60+ atoms. In the fifteenth Br1- site, Br1- is bonded in a 4-coordinate geometry to three W+3.60+ atoms. In the sixteenth Br1- site, Br1- is bonded in a 4-coordinate geometry to three W+3.60+ atoms. In the seventeenth Br1- site, Br1- is bonded in a 5-coordinate geometry to three W+3.60+ atoms. In the eighteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the nineteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the twentieth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the twenty-first Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the twenty-second Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the twenty-third Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the twenty-fourth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1196259
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; Sb(WBr3)5; Br-Sb-W
OSTI Identifier:
1731289
DOI:
https://doi.org/10.17188/1731289

Citation Formats

The Materials Project. Materials Data on Sb(WBr3)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731289.
The Materials Project. Materials Data on Sb(WBr3)5 by Materials Project. United States. doi:https://doi.org/10.17188/1731289
The Materials Project. 2020. "Materials Data on Sb(WBr3)5 by Materials Project". United States. doi:https://doi.org/10.17188/1731289. https://www.osti.gov/servlets/purl/1731289. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1731289,
title = {Materials Data on Sb(WBr3)5 by Materials Project},
author = {The Materials Project},
abstractNote = {W5Br12SbBr3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four antimony tribromide molecules and two W5Br12 ribbons oriented in the (0, 1, 0) direction. In each W5Br12 ribbon, there are ten inequivalent W+3.60+ sites. In the first W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.60–2.65 Å. In the second W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.66 Å. In the third W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.57–2.71 Å. In the fourth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.55–2.66 Å. In the fifth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.57–2.73 Å. In the sixth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.59–2.66 Å. In the seventh W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.67 Å. In the eighth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.66 Å. In the ninth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.57–2.70 Å. In the tenth W+3.60+ site, W+3.60+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.56–2.72 Å. There are twenty-four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three W+3.60+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three W+3.60+ atoms. In the third Br1- site, Br1- is bonded in a 10-coordinate geometry to three W+3.60+ atoms. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to three W+3.60+ atoms. In the fifth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the sixth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the seventh Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the eighth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the ninth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the tenth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the eleventh Br1- site, Br1- is bonded in a bent 120 degrees geometry to two W+3.60+ atoms. In the twelfth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the thirteenth Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to two W+3.60+ atoms. In the fourteenth Br1- site, Br1- is bonded in a 8-coordinate geometry to three W+3.60+ atoms. In the fifteenth Br1- site, Br1- is bonded in a 4-coordinate geometry to three W+3.60+ atoms. In the sixteenth Br1- site, Br1- is bonded in a 4-coordinate geometry to three W+3.60+ atoms. In the seventeenth Br1- site, Br1- is bonded in a 5-coordinate geometry to three W+3.60+ atoms. In the eighteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the nineteenth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the twentieth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the twenty-first Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+3.60+ atoms. In the twenty-second Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the twenty-third Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom. In the twenty-fourth Br1- site, Br1- is bonded in a single-bond geometry to one W+3.60+ atom.},
doi = {10.17188/1731289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}