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Title: 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.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1193585
Report Number(s):
mp-18881
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; KCr4O8; Cr-K-O

Citation Formats

The Materials Project. Materials Data on KCr4O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193585.
The Materials Project. Materials Data on KCr4O8 by Materials Project. United States. https://doi.org/10.17188/1193585
The Materials Project. 2020. "Materials Data on KCr4O8 by Materials Project". United States. https://doi.org/10.17188/1193585. https://www.osti.gov/servlets/purl/1193585.
@article{osti_1193585,
title = {Materials Data on KCr4O8 by Materials Project},
author = {The 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},
url = {https://www.osti.gov/biblio/1193585}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}