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Title: Materials Data on K2UI5 by Materials Project

Abstract

K2UI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.99 Å. U3+ is bonded to seven I1- atoms to form distorted edge-sharing UI7 pentagonal bipyramids. There are a spread of U–I bond distances ranging from 3.18–3.29 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U3+ atoms. In the second I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4U trigonal bipyramids. In the third I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4U trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner and edge-sharing IK4U trigonal bipyramids.

Publication Date:
Other Number(s):
mp-616641
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; K2UI5; I-K-U
OSTI Identifier:
1277888
DOI:
10.17188/1277888

Citation Formats

The Materials Project. Materials Data on K2UI5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277888.
The Materials Project. Materials Data on K2UI5 by Materials Project. United States. doi:10.17188/1277888.
The Materials Project. 2020. "Materials Data on K2UI5 by Materials Project". United States. doi:10.17188/1277888. https://www.osti.gov/servlets/purl/1277888. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1277888,
title = {Materials Data on K2UI5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2UI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.99 Å. U3+ is bonded to seven I1- atoms to form distorted edge-sharing UI7 pentagonal bipyramids. There are a spread of U–I bond distances ranging from 3.18–3.29 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U3+ atoms. In the second I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4U trigonal bipyramids. In the third I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4U trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner and edge-sharing IK4U trigonal bipyramids.},
doi = {10.17188/1277888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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