U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs8In2O7 by Materials Project
Abstract
Cs8In2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.33 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.22 Å. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.26 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.89–3.07 Å. In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.10–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Cs1+ and two equivalent In3+ atoms to form distorted edge-sharing OCs4In2 octahedra. In the second O2- site, O2- is bonded to five Cs1+ and one In3+ atom to formmore »
- Publication Date:
- Other Number(s):
- mp-1196865
- 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-O; Cs8In2O7; crystal structure
- OSTI Identifier:
- 1681635
- DOI:
- https://doi.org/10.17188/1681635
Citation Formats
Materials Data on Cs8In2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681635.
Materials Data on Cs8In2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1681635
2020.
"Materials Data on Cs8In2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1681635. https://www.osti.gov/servlets/purl/1681635. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1681635,
title = {Materials Data on Cs8In2O7 by Materials Project},
abstractNote = {Cs8In2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.33 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.22 Å. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.26 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.89–3.07 Å. In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.10–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Cs1+ and two equivalent In3+ atoms to form distorted edge-sharing OCs4In2 octahedra. In the second O2- site, O2- is bonded to five Cs1+ and one In3+ atom to form distorted edge-sharing OCs5In octahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one In3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one In3+ atom.},
doi = {10.17188/1681635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}