U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3(Na13In24)2 by Materials Project
Abstract
Cs3(Na13In24)2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Cs is bonded in a 4-coordinate geometry to eight Na and twelve In atoms. There are four shorter (4.07 Å) and four longer (4.13 Å) Cs–Na bond lengths. There are four shorter (4.06 Å) and eight longer (4.26 Å) Cs–In bond lengths. There are four inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to two equivalent Cs and twelve In atoms. There are four shorter (3.33 Å) and eight longer (3.50 Å) Na–In bond lengths. In the second Na site, Na is bonded in a 3-coordinate geometry to one Cs, three Na, and ten In atoms. There are two shorter (3.69 Å) and one longer (3.87 Å) Na–Na bond lengths. There are a spread of Na–In bond distances ranging from 3.36–3.70 Å. In the third Na site, Na is bonded in a 9-coordinate geometry to four Na and twelve In atoms. The Na–Na bond length is 3.49 Å. There are a spread of Na–In bond distances ranging from 3.56–3.80 Å. In the fourth Na site, Na is bonded in a 8-coordinate geometry to twomore »
- Publication Date:
- Other Number(s):
- mp-1214812
- 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-Na; Cs3(Na13In24)2; crystal structure
- OSTI Identifier:
- 1684373
- DOI:
- https://doi.org/10.17188/1684373
Citation Formats
Materials Data on Cs3(Na13In24)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684373.
Materials Data on Cs3(Na13In24)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684373
2019.
"Materials Data on Cs3(Na13In24)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684373. https://www.osti.gov/servlets/purl/1684373. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1684373,
title = {Materials Data on Cs3(Na13In24)2 by Materials Project},
abstractNote = {Cs3(Na13In24)2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Cs is bonded in a 4-coordinate geometry to eight Na and twelve In atoms. There are four shorter (4.07 Å) and four longer (4.13 Å) Cs–Na bond lengths. There are four shorter (4.06 Å) and eight longer (4.26 Å) Cs–In bond lengths. There are four inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to two equivalent Cs and twelve In atoms. There are four shorter (3.33 Å) and eight longer (3.50 Å) Na–In bond lengths. In the second Na site, Na is bonded in a 3-coordinate geometry to one Cs, three Na, and ten In atoms. There are two shorter (3.69 Å) and one longer (3.87 Å) Na–Na bond lengths. There are a spread of Na–In bond distances ranging from 3.36–3.70 Å. In the third Na site, Na is bonded in a 9-coordinate geometry to four Na and twelve In atoms. The Na–Na bond length is 3.49 Å. There are a spread of Na–In bond distances ranging from 3.56–3.80 Å. In the fourth Na site, Na is bonded in a 8-coordinate geometry to two equivalent Cs, four equivalent Na, and eight equivalent In atoms. All Na–In bond lengths are 3.45 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to one Cs, six Na, and five In atoms. There are a spread of In–In bond distances ranging from 2.96–3.19 Å. In the second In site, In is bonded in a 12-coordinate geometry to one Cs, six Na, and five In atoms. There are a spread of In–In bond distances ranging from 3.13–3.23 Å. In the third In site, In is bonded in a 11-coordinate geometry to five Na and six In atoms. There are one shorter (3.06 Å) and four longer (3.13 Å) In–In bond lengths.},
doi = {10.17188/1684373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}