DOI: 10.17188/1318688
title: Materials Data on Sb5S3O5 by Materials Project

description: 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.