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Title: Materials Data on KLi6IrO6 by Materials Project

Abstract

KLi6IrO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to twelve equivalent Li1+ and twelve equivalent O2- atoms. All K–Li bond lengths are 2.99 Å. There are six shorter (2.99 Å) and six longer (3.10 Å) K–O bond lengths. Li1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and four equivalent O2- atoms. There is two shorter (1.95 Å) and two longer (1.98 Å) Li–O bond length. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, four equivalent Li1+, and one Ir5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-14466
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KLi6IrO6; Ir-K-Li-O
OSTI Identifier:
1190689
DOI:
https://doi.org/10.17188/1190689

Citation Formats

The Materials Project. Materials Data on KLi6IrO6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1190689.
The Materials Project. Materials Data on KLi6IrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1190689
The Materials Project. 2017. "Materials Data on KLi6IrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1190689. https://www.osti.gov/servlets/purl/1190689. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1190689,
title = {Materials Data on KLi6IrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {KLi6IrO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to twelve equivalent Li1+ and twelve equivalent O2- atoms. All K–Li bond lengths are 2.99 Å. There are six shorter (2.99 Å) and six longer (3.10 Å) K–O bond lengths. Li1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and four equivalent O2- atoms. There is two shorter (1.95 Å) and two longer (1.98 Å) Li–O bond length. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, four equivalent Li1+, and one Ir5+ atom.},
doi = {10.17188/1190689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}