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Title: Materials Data on UCuO6 by Materials Project

Abstract

UCuO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one UCuO6 sheet oriented in the (1, 0, 1) direction. U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.50 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and one Cu atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one U and two equivalent Cu atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cu atom.

Publication Date:
Other Number(s):
mp-1188600
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; UCuO6; Cu-O-U
OSTI Identifier:
1685995
DOI:
https://doi.org/10.17188/1685995

Citation Formats

The Materials Project. Materials Data on UCuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685995.
The Materials Project. Materials Data on UCuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1685995
The Materials Project. 2020. "Materials Data on UCuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1685995. https://www.osti.gov/servlets/purl/1685995. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685995,
title = {Materials Data on UCuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {UCuO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one UCuO6 sheet oriented in the (1, 0, 1) direction. U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.50 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and one Cu atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one U and two equivalent Cu atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cu atom.},
doi = {10.17188/1685995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}