U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu3P4(SI)3 by Materials Project
Abstract
(CuI)3P4S3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four tetraphosphorus trisulfide molecules and two CuI sheets oriented in the (0, 0, 1) direction. In each CuI sheet, there are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded in a distorted trigonal non-coplanar geometry to three I1- atoms. There are one shorter (2.63 Å) and two longer (2.66 Å) Cu–I bond lengths. In the second Cu+1.67+ site, Cu+1.67+ is bonded in a distorted trigonal non-coplanar geometry to three I1- atoms. There are one shorter (2.63 Å) and two longer (2.65 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Cu+1.67+ atoms. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Cu+1.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-559307
- 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; Cu3P4(SI)3; Cu-I-P-S
- OSTI Identifier:
- 1270797
- DOI:
- https://doi.org/10.17188/1270797
Citation Formats
The Materials Project. Materials Data on Cu3P4(SI)3 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1270797.
The Materials Project. Materials Data on Cu3P4(SI)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270797
The Materials Project. 2014.
"Materials Data on Cu3P4(SI)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270797. https://www.osti.gov/servlets/purl/1270797. Pub date:Sat Mar 08 00:00:00 EST 2014
@article{osti_1270797,
title = {Materials Data on Cu3P4(SI)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CuI)3P4S3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four tetraphosphorus trisulfide molecules and two CuI sheets oriented in the (0, 0, 1) direction. In each CuI sheet, there are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded in a distorted trigonal non-coplanar geometry to three I1- atoms. There are one shorter (2.63 Å) and two longer (2.66 Å) Cu–I bond lengths. In the second Cu+1.67+ site, Cu+1.67+ is bonded in a distorted trigonal non-coplanar geometry to three I1- atoms. There are one shorter (2.63 Å) and two longer (2.65 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Cu+1.67+ atoms. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Cu+1.67+ atoms.},
doi = {10.17188/1270797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Mar 08 00:00:00 EST 2014},
month = {Sat Mar 08 00:00:00 EST 2014}
}