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Title: Materials Data on Pd(Se3Cl)2 by Materials Project

Abstract

Pd(Se3Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Pd(Se3Cl)2 sheet oriented in the (-1, 0, 2) direction. Pd2+ is bonded in a square co-planar geometry to two equivalent Se and two equivalent Cl1- atoms. Both Pd–Se bond lengths are 2.44 Å. Both Pd–Cl bond lengths are 2.33 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a square co-planar geometry to two Se and two equivalent Cl1- atoms. There are one shorter (2.35 Å) and one longer (2.43 Å) Se–Se bond lengths. There are one shorter (3.07 Å) and one longer (3.48 Å) Se–Cl bond lengths. In the second Se site, Se is bonded in a water-like geometry to two Se atoms. The Se–Se bond length is 2.42 Å. In the third Se site, Se is bonded in a 1-coordinate geometry to one Pd2+ and two Se atoms. Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and two equivalent Se atoms.

Publication Date:
Other Number(s):
mp-29469
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; Pd(Se3Cl)2; Cl-Pd-Se
OSTI Identifier:
1203951
DOI:
https://doi.org/10.17188/1203951

Citation Formats

The Materials Project. Materials Data on Pd(Se3Cl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203951.
The Materials Project. Materials Data on Pd(Se3Cl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203951
The Materials Project. 2020. "Materials Data on Pd(Se3Cl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203951. https://www.osti.gov/servlets/purl/1203951. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203951,
title = {Materials Data on Pd(Se3Cl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd(Se3Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Pd(Se3Cl)2 sheet oriented in the (-1, 0, 2) direction. Pd2+ is bonded in a square co-planar geometry to two equivalent Se and two equivalent Cl1- atoms. Both Pd–Se bond lengths are 2.44 Å. Both Pd–Cl bond lengths are 2.33 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a square co-planar geometry to two Se and two equivalent Cl1- atoms. There are one shorter (2.35 Å) and one longer (2.43 Å) Se–Se bond lengths. There are one shorter (3.07 Å) and one longer (3.48 Å) Se–Cl bond lengths. In the second Se site, Se is bonded in a water-like geometry to two Se atoms. The Se–Se bond length is 2.42 Å. In the third Se site, Se is bonded in a 1-coordinate geometry to one Pd2+ and two Se atoms. Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and two equivalent Se atoms.},
doi = {10.17188/1203951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}