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Title: Materials Data on RbSbS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187234· OSTI ID:1187234

RbSbS2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.80 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.79 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.79 Å. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.43–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.83 Å. In the third Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.83 Å. In the fourth Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.97 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to three Rb1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing SRb3Sb2 trigonal bipyramids. In the second S2- site, S2- is bonded to three Rb1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing SRb3Sb2 trigonal bipyramids. In the third S2- site, S2- is bonded in a 6-coordinate geometry to four Rb1+ and two Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three Rb1+ and two Sb3+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to four Rb1+ and two Sb3+ atoms. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to four Rb1+ and two Sb3+ atoms. In the seventh S2- site, S2- is bonded in a 6-coordinate geometry to four Rb1+ and two Sb3+ atoms. In the eighth S2- site, S2- is bonded in a 5-coordinate geometry to three Rb1+ and two Sb3+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1187234
Report Number(s):
mp-10621
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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