skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CuSe2O5 by Materials Project

Abstract

CuSe2O5 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two CuSe2O5 ribbons oriented in the (0, 0, 1) direction. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.96 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3199
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; CuSe2O5; Cu-O-Se
OSTI Identifier:
1206025
DOI:
10.17188/1206025

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuSe2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206025.
Persson, Kristin, & Project, Materials. Materials Data on CuSe2O5 by Materials Project. United States. doi:10.17188/1206025.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuSe2O5 by Materials Project". United States. doi:10.17188/1206025. https://www.osti.gov/servlets/purl/1206025. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206025,
title = {Materials Data on CuSe2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuSe2O5 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two CuSe2O5 ribbons oriented in the (0, 0, 1) direction. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.96 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se4+ atoms.},
doi = {10.17188/1206025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: