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Title: Materials Data on PPdSe by Materials Project

Abstract

PdPSe crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two PdPSe sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a rectangular see-saw-like geometry to two equivalent P2- and two equivalent Se2- atoms. Both Pd–P bond lengths are 2.32 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Pd–Se bond lengths. P2- is bonded to two equivalent Pd4+, one P2-, and one Se2- atom to form corner-sharing PPPd2Se tetrahedra. The P–P bond length is 2.22 Å. The P–Se bond length is 2.31 Å. Se2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd4+ and one P2- atom.

Authors:
Publication Date:
Other Number(s):
mp-3123
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; PPdSe; P-Pd-Se
OSTI Identifier:
1205521
DOI:
https://doi.org/10.17188/1205521

Citation Formats

The Materials Project. Materials Data on PPdSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205521.
The Materials Project. Materials Data on PPdSe by Materials Project. United States. doi:https://doi.org/10.17188/1205521
The Materials Project. 2020. "Materials Data on PPdSe by Materials Project". United States. doi:https://doi.org/10.17188/1205521. https://www.osti.gov/servlets/purl/1205521. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1205521,
title = {Materials Data on PPdSe by Materials Project},
author = {The Materials Project},
abstractNote = {PdPSe crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two PdPSe sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a rectangular see-saw-like geometry to two equivalent P2- and two equivalent Se2- atoms. Both Pd–P bond lengths are 2.32 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Pd–Se bond lengths. P2- is bonded to two equivalent Pd4+, one P2-, and one Se2- atom to form corner-sharing PPPd2Se tetrahedra. The P–P bond length is 2.22 Å. The P–Se bond length is 2.31 Å. Se2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd4+ and one P2- atom.},
doi = {10.17188/1205521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}