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Title: Materials Data on Ag2PdCl4 by Materials Project

Abstract

PdAg2Cl4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Pd–Cl bond lengths. Ag1+ is bonded to six Cl1- atoms to form a mixture of distorted edge and corner-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 7–35°. There are a spread of Ag–Cl bond distances ranging from 2.65–3.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and two equivalent Ag1+ atoms. In the second Cl1- site, Cl1- is bonded to one Pd2+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClAg4Pd square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-28557
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; Ag2PdCl4; Ag-Cl-Pd
OSTI Identifier:
1202659
DOI:
https://doi.org/10.17188/1202659

Citation Formats

The Materials Project. Materials Data on Ag2PdCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202659.
The Materials Project. Materials Data on Ag2PdCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1202659
The Materials Project. 2020. "Materials Data on Ag2PdCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1202659. https://www.osti.gov/servlets/purl/1202659. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202659,
title = {Materials Data on Ag2PdCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {PdAg2Cl4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Pd–Cl bond lengths. Ag1+ is bonded to six Cl1- atoms to form a mixture of distorted edge and corner-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 7–35°. There are a spread of Ag–Cl bond distances ranging from 2.65–3.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and two equivalent Ag1+ atoms. In the second Cl1- site, Cl1- is bonded to one Pd2+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClAg4Pd square pyramids.},
doi = {10.17188/1202659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}