U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCr4O8 by Materials Project
Abstract
KCr4O8 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.95 Å. Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Cr–O bond distances ranging from 1.90–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Cr+3.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Cr+3.75+ atoms.
- Publication Date:
- Other Number(s):
- mp-18881
- 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; Cr-K-O; KCr4O8; crystal structure
- OSTI Identifier:
- 1193585
- DOI:
- https://doi.org/10.17188/1193585
Citation Formats
Materials Data on KCr4O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193585.
Materials Data on KCr4O8 by Materials Project. United States. doi:https://doi.org/10.17188/1193585
2020.
"Materials Data on KCr4O8 by Materials Project". United States. doi:https://doi.org/10.17188/1193585. https://www.osti.gov/servlets/purl/1193585. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1193585,
title = {Materials Data on KCr4O8 by Materials Project},
abstractNote = {KCr4O8 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.95 Å. Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Cr–O bond distances ranging from 1.90–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Cr+3.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Cr+3.75+ atoms.},
doi = {10.17188/1193585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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