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

Title: Materials Data on CuSe2Cl by Materials Project

Abstract

CuClSe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuClSe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Se1- and two equivalent Cl1- atoms to form corner-sharing CuSe2Cl2 tetrahedra. There are one shorter (2.38 Å) and one longer (2.39 Å) Cu–Se bond lengths. Both Cu–Cl bond lengths are 2.31 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. In the second Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. Cl1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.

Publication Date:
Other Number(s):
mp-31038
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; CuSe2Cl; Cl-Cu-Se
OSTI Identifier:
1205367
DOI:
10.17188/1205367

Citation Formats

The Materials Project. Materials Data on CuSe2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205367.
The Materials Project. Materials Data on CuSe2Cl by Materials Project. United States. doi:10.17188/1205367.
The Materials Project. 2020. "Materials Data on CuSe2Cl by Materials Project". United States. doi:10.17188/1205367. https://www.osti.gov/servlets/purl/1205367. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1205367,
title = {Materials Data on CuSe2Cl by Materials Project},
author = {The Materials Project},
abstractNote = {CuClSe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuClSe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Se1- and two equivalent Cl1- atoms to form corner-sharing CuSe2Cl2 tetrahedra. There are one shorter (2.38 Å) and one longer (2.39 Å) Cu–Se bond lengths. Both Cu–Cl bond lengths are 2.31 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. In the second Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. Cl1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.},
doi = {10.17188/1205367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: