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Title: Materials Data on Rb(SbSe2)2 by Materials Project

Abstract

Rb(SbSe2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.75- atoms. There are a spread of Rb–Se bond distances ranging from 3.53–4.08 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five Se+1.75- atoms to form distorted edge-sharing SbSe5 square pyramids. There are a spread of Sb–Se bond distances ranging from 2.59–3.35 Å. In the second Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four Se+1.75- atoms. There are a spread of Sb–Se bond distances ranging from 2.62–3.18 Å. There are four inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded to one Rb1+ and three Sb3+ atoms to form distorted edge-sharing SeRbSb3 trigonal pyramids. In the second Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Sb3+ atoms. In the third Se+1.75- site, Se+1.75- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Sb3+ atom. In the fourth Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sb3+ atoms.

Publication Date:
Other Number(s):
mp-9798
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb(SbSe2)2; Rb-Sb-Se
OSTI Identifier:
1316157
DOI:
10.17188/1316157

Citation Formats

The Materials Project. Materials Data on Rb(SbSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316157.
The Materials Project. Materials Data on Rb(SbSe2)2 by Materials Project. United States. doi:10.17188/1316157.
The Materials Project. 2020. "Materials Data on Rb(SbSe2)2 by Materials Project". United States. doi:10.17188/1316157. https://www.osti.gov/servlets/purl/1316157. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1316157,
title = {Materials Data on Rb(SbSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb(SbSe2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.75- atoms. There are a spread of Rb–Se bond distances ranging from 3.53–4.08 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five Se+1.75- atoms to form distorted edge-sharing SbSe5 square pyramids. There are a spread of Sb–Se bond distances ranging from 2.59–3.35 Å. In the second Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four Se+1.75- atoms. There are a spread of Sb–Se bond distances ranging from 2.62–3.18 Å. There are four inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded to one Rb1+ and three Sb3+ atoms to form distorted edge-sharing SeRbSb3 trigonal pyramids. In the second Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Sb3+ atoms. In the third Se+1.75- site, Se+1.75- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Sb3+ atom. In the fourth Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sb3+ atoms.},
doi = {10.17188/1316157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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