U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2In3 by Materials Project
Abstract
Cs2In3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to five Cs and nine In atoms. There are one shorter (3.79 Å) and four longer (4.25 Å) Cs–Cs bond lengths. There are a spread of Cs–In bond distances ranging from 4.20–4.33 Å. In the second Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.39 Å) Cs–In bond lengths. In the third Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.57 Å) Cs–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Cs and five In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. In the third In site, In is bonded in a 9-coordinate geometrymore »
- Publication Date:
- Other Number(s):
- mp-567752
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cs-In; Cs2In3; crystal structure
- OSTI Identifier:
- 1274028
- DOI:
- https://doi.org/10.17188/1274028
Citation Formats
Materials Data on Cs2In3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274028.
Materials Data on Cs2In3 by Materials Project. United States. doi:https://doi.org/10.17188/1274028
2020.
"Materials Data on Cs2In3 by Materials Project". United States. doi:https://doi.org/10.17188/1274028. https://www.osti.gov/servlets/purl/1274028. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1274028,
title = {Materials Data on Cs2In3 by Materials Project},
abstractNote = {Cs2In3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to five Cs and nine In atoms. There are one shorter (3.79 Å) and four longer (4.25 Å) Cs–Cs bond lengths. There are a spread of Cs–In bond distances ranging from 4.20–4.33 Å. In the second Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.39 Å) Cs–In bond lengths. In the third Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.57 Å) Cs–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Cs and five In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. In the third In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. The In–Cs bond length is 4.20 Å. There are two shorter (3.10 Å) and two longer (3.24 Å) In–In bond lengths.},
doi = {10.17188/1274028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}