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

Title: Materials Data on Cu3P8(Se2I)3 by Materials Project

Abstract

(CuI)3(P4Se3)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four iodocopper molecules; eight tetraphosphorous triselenide molecules; and two CuI ribbons oriented in the (1, 0, 0) direction. In each CuI ribbon, Cu+1.67+ is bonded in a distorted water-like geometry to two equivalent I1- atoms. There are one shorter (2.64 Å) and one longer (2.74 Å) Cu–I bond lengths. I1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.67+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1204573
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; Cu3P8(Se2I)3; Cu-I-P-Se
OSTI Identifier:
1739189
DOI:
https://doi.org/10.17188/1739189

Citation Formats

The Materials Project. Materials Data on Cu3P8(Se2I)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739189.
The Materials Project. Materials Data on Cu3P8(Se2I)3 by Materials Project. United States. doi:https://doi.org/10.17188/1739189
The Materials Project. 2020. "Materials Data on Cu3P8(Se2I)3 by Materials Project". United States. doi:https://doi.org/10.17188/1739189. https://www.osti.gov/servlets/purl/1739189. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1739189,
title = {Materials Data on Cu3P8(Se2I)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CuI)3(P4Se3)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four iodocopper molecules; eight tetraphosphorous triselenide molecules; and two CuI ribbons oriented in the (1, 0, 0) direction. In each CuI ribbon, Cu+1.67+ is bonded in a distorted water-like geometry to two equivalent I1- atoms. There are one shorter (2.64 Å) and one longer (2.74 Å) Cu–I bond lengths. I1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.67+ atoms.},
doi = {10.17188/1739189},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}