U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2Sn11 by Materials Project
Abstract
Cs2Sn11 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to eleven Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.06–4.44 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.01–4.45 Å. In the third Cs site, Cs is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.03–4.45 Å. In the fourth Cs site, Cs is bonded in a 6-coordinate geometry to sixteen Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.90–4.13 Å. There are fourteen inequivalent Sn sites. In the first Sn site, Sn is bonded to four Cs and four Sn atoms to form distorted edge-sharing SnCs4Sn4 tetrahedra. There are two shorter (2.91 Å) and two longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Cs and four Sn atoms. There are a spread of Sn–Sn bond distances ranging frommore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1096991
- 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; Cs2Sn11; Cs-Sn
- OSTI Identifier:
- 1683931
- DOI:
- https://doi.org/10.17188/1683931
Citation Formats
The Materials Project. Materials Data on Cs2Sn11 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1683931.
The Materials Project. Materials Data on Cs2Sn11 by Materials Project. United States. doi:https://doi.org/10.17188/1683931
The Materials Project. 2018.
"Materials Data on Cs2Sn11 by Materials Project". United States. doi:https://doi.org/10.17188/1683931. https://www.osti.gov/servlets/purl/1683931. Pub date:Sun May 13 00:00:00 EDT 2018
@article{osti_1683931,
title = {Materials Data on Cs2Sn11 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Sn11 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to eleven Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.06–4.44 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.01–4.45 Å. In the third Cs site, Cs is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.03–4.45 Å. In the fourth Cs site, Cs is bonded in a 6-coordinate geometry to sixteen Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.90–4.13 Å. There are fourteen inequivalent Sn sites. In the first Sn site, Sn is bonded to four Cs and four Sn atoms to form distorted edge-sharing SnCs4Sn4 tetrahedra. There are two shorter (2.91 Å) and two longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Cs and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.98–3.00 Å. In the third Sn site, Sn is bonded in a 7-coordinate geometry to three Cs and four Sn atoms. There are two shorter (2.93 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to three Cs and four Sn atoms. There are two shorter (2.89 Å) and one longer (3.05 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Cs and four Sn atoms. There are two shorter (2.91 Å) and one longer (3.02 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded to two equivalent Cs and three Sn atoms to form distorted corner-sharing SnCs2Sn3 square pyramids. There are two shorter (2.92 Å) and one longer (3.07 Å) Sn–Sn bond lengths. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Cs and four Sn atoms. There are two shorter (2.89 Å) and one longer (2.97 Å) Sn–Sn bond lengths. In the eighth Sn site, Sn is bonded in a 5-coordinate geometry to two Cs and three Sn atoms. There are one shorter (2.92 Å) and one longer (2.94 Å) Sn–Sn bond lengths. In the ninth Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Cs and three Sn atoms. Both Sn–Sn bond lengths are 2.95 Å. In the tenth Sn site, Sn is bonded in a 7-coordinate geometry to three Cs and four Sn atoms. Both Sn–Sn bond lengths are 2.88 Å. In the eleventh Sn site, Sn is bonded in a 5-coordinate geometry to one Cs and four Sn atoms. The Sn–Sn bond length is 2.89 Å. In the twelfth Sn site, Sn is bonded in a 5-coordinate geometry to one Cs and four Sn atoms. The Sn–Sn bond length is 2.87 Å. In the thirteenth Sn site, Sn is bonded in a 5-coordinate geometry to one Cs and four Sn atoms. The Sn–Sn bond length is 2.96 Å. In the fourteenth Sn site, Sn is bonded in a 5-coordinate geometry to one Cs and four Sn atoms.},
doi = {10.17188/1683931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}