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Title: Materials Data on KCuIO6 by Materials Project

Abstract

KCuO6I crystallizes in the trigonal P312 space group. The structure is three-dimensional. K is bonded to six equivalent O atoms to form distorted KO6 octahedra that share corners with six equivalent CuO6 octahedra and corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. All K–O bond lengths are 2.81 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent KO6 octahedra and edges with three equivalent IO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cu–O bond lengths are 1.98 Å. O is bonded in a distorted trigonal planar geometry to one K, one Cu, and one I atom. The O–I bond length is 1.91 Å. I is bonded to six equivalent O atoms to form IO6 octahedra that share corners with six equivalent KO6 octahedra and edges with three equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 50°.

Publication Date:
Other Number(s):
mp-1147553
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KCuIO6; Cu-I-K-O
OSTI Identifier:
1662877
DOI:
https://doi.org/10.17188/1662877

Citation Formats

The Materials Project. Materials Data on KCuIO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662877.
The Materials Project. Materials Data on KCuIO6 by Materials Project. United States. doi:https://doi.org/10.17188/1662877
The Materials Project. 2020. "Materials Data on KCuIO6 by Materials Project". United States. doi:https://doi.org/10.17188/1662877. https://www.osti.gov/servlets/purl/1662877. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1662877,
title = {Materials Data on KCuIO6 by Materials Project},
author = {The Materials Project},
abstractNote = {KCuO6I crystallizes in the trigonal P312 space group. The structure is three-dimensional. K is bonded to six equivalent O atoms to form distorted KO6 octahedra that share corners with six equivalent CuO6 octahedra and corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. All K–O bond lengths are 2.81 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent KO6 octahedra and edges with three equivalent IO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cu–O bond lengths are 1.98 Å. O is bonded in a distorted trigonal planar geometry to one K, one Cu, and one I atom. The O–I bond length is 1.91 Å. I is bonded to six equivalent O atoms to form IO6 octahedra that share corners with six equivalent KO6 octahedra and edges with three equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 50°.},
doi = {10.17188/1662877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}