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Title: Materials Data on KU(TeO4)2 by Materials Project

Abstract

KU(TeO4)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.14 Å. U5+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.85 Å) and four longer (2.26 Å) U–O bond lengths. Te5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (2.06 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one U5+, and one Te5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two equivalent Te5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te5+ atoms.

Publication Date:
Other Number(s):
mp-1191957
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; KU(TeO4)2; K-O-Te-U
OSTI Identifier:
1723163
DOI:
https://doi.org/10.17188/1723163

Citation Formats

The Materials Project. Materials Data on KU(TeO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1723163.
The Materials Project. Materials Data on KU(TeO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723163
The Materials Project. 2019. "Materials Data on KU(TeO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723163. https://www.osti.gov/servlets/purl/1723163. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1723163,
title = {Materials Data on KU(TeO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KU(TeO4)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.14 Å. U5+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.85 Å) and four longer (2.26 Å) U–O bond lengths. Te5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (2.06 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one U5+, and one Te5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two equivalent Te5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te5+ atoms.},
doi = {10.17188/1723163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}