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:
- Publication Date:
- Other Number(s):
- mp-3199
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CuSe2O5; Cu-O-Se
- OSTI Identifier:
- 1206025
- DOI:
- https://doi.org/10.17188/1206025
Citation Formats
The Materials Project. Materials Data on CuSe2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206025.
The Materials Project. Materials Data on CuSe2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1206025
The Materials Project. 2020.
"Materials Data on CuSe2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1206025. https://www.osti.gov/servlets/purl/1206025. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1206025,
title = {Materials Data on CuSe2O5 by Materials Project},
author = {The Materials Project},
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 = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}