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Title: Materials Data on K4I2O by Materials Project

Abstract

K4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent I1- atoms. Both K–O bond lengths are 2.68 Å. All K–I bond lengths are 3.73 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to one O2- and five equivalent I1- atoms. The K–O bond length is 2.60 Å. There are one shorter (3.64 Å) and four longer (3.79 Å) K–I bond lengths. O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 9-coordinate geometry to nine K1+ 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:
1298386
Report Number(s):
mp-768368
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; K4I2O; I-K-O

Citation Formats

The Materials Project. Materials Data on K4I2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298386.
The Materials Project. Materials Data on K4I2O by Materials Project. United States. https://doi.org/10.17188/1298386
The Materials Project. 2020. "Materials Data on K4I2O by Materials Project". United States. https://doi.org/10.17188/1298386. https://www.osti.gov/servlets/purl/1298386.
@article{osti_1298386,
title = {Materials Data on K4I2O by Materials Project},
author = {The Materials Project},
abstractNote = {K4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent I1- atoms. Both K–O bond lengths are 2.68 Å. All K–I bond lengths are 3.73 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to one O2- and five equivalent I1- atoms. The K–O bond length is 2.60 Å. There are one shorter (3.64 Å) and four longer (3.79 Å) K–I bond lengths. O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 9-coordinate geometry to nine K1+ atoms.},
doi = {10.17188/1298386},
url = {https://www.osti.gov/biblio/1298386}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}