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Title: Materials Data on Sb5S3O5 by Materials Project

Abstract

Sb5S3O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Sb+3.20+ sites. In the first Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.39 Å. In the second Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.40 Å. In the third Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.41 Å. In the fourth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.41 Å. In the fifth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.47 Å. In the sixth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.46 Å. In themore » seventh Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.47 Å. In the eighth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.49 Å. In the ninth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. In the tenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. In the eleventh Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.04 Å. In the twelfth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.04 Å. In the thirteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are two shorter (2.53 Å) and one longer (3.00 Å) Sb–S bond lengths. The Sb–O bond length is 1.95 Å. In the fourteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are a spread of Sb–S bond distances ranging from 2.53–3.04 Å. The Sb–O bond length is 1.96 Å. In the fifteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are a spread of Sb–S bond distances ranging from 2.53–2.99 Å. The Sb–O bond length is 1.96 Å. In the sixteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are two shorter (2.53 Å) and one longer (3.04 Å) Sb–S bond lengths. The Sb–O bond length is 1.95 Å. In the seventeenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.41 Å) and two longer (2.49 Å) Sb–S bond lengths. In the eighteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.42–2.50 Å. In the nineteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.41–2.50 Å. In the twentieth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.41–2.50 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the seventh S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the eighth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the ninth S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. In the tenth S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. In the eleventh S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. In the twelfth S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-12918
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; Sb5S3O5; O-S-Sb
OSTI Identifier:
1318688
DOI:
https://doi.org/10.17188/1318688

Citation Formats

The Materials Project. Materials Data on Sb5S3O5 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1318688.
The Materials Project. Materials Data on Sb5S3O5 by Materials Project. United States. doi:https://doi.org/10.17188/1318688
The Materials Project. 2013. "Materials Data on Sb5S3O5 by Materials Project". United States. doi:https://doi.org/10.17188/1318688. https://www.osti.gov/servlets/purl/1318688. Pub date:Mon Nov 18 00:00:00 EST 2013
@article{osti_1318688,
title = {Materials Data on Sb5S3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb5S3O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Sb+3.20+ sites. In the first Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.39 Å. In the second Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.40 Å. In the third Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.41 Å. In the fourth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.41 Å. In the fifth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.47 Å. In the sixth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.46 Å. In the seventh Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.47 Å. In the eighth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.49 Å. In the ninth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. In the tenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. In the eleventh Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.04 Å. In the twelfth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.04 Å. In the thirteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are two shorter (2.53 Å) and one longer (3.00 Å) Sb–S bond lengths. The Sb–O bond length is 1.95 Å. In the fourteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are a spread of Sb–S bond distances ranging from 2.53–3.04 Å. The Sb–O bond length is 1.96 Å. In the fifteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are a spread of Sb–S bond distances ranging from 2.53–2.99 Å. The Sb–O bond length is 1.96 Å. In the sixteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted single-bond geometry to three S2- and one O2- atom. There are two shorter (2.53 Å) and one longer (3.04 Å) Sb–S bond lengths. The Sb–O bond length is 1.95 Å. In the seventeenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.41 Å) and two longer (2.49 Å) Sb–S bond lengths. In the eighteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.42–2.50 Å. In the nineteenth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.41–2.50 Å. In the twentieth Sb+3.20+ site, Sb+3.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.41–2.50 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the seventh S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the eighth S2- site, S2- is bonded in a distorted water-like geometry to two Sb+3.20+ atoms. In the ninth S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. In the tenth S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. In the eleventh S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. In the twelfth S2- site, S2- is bonded in a distorted L-shaped geometry to two Sb+3.20+ atoms. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb+3.20+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb+3.20+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.20+ atoms.},
doi = {10.17188/1318688},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {11}
}