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Title: Materials Data on Pd(IO3)2 by Materials Project

Abstract

Pd(O3I)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Pd(O3I)2 sheets oriented in the (0, 0, 1) direction. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Pd–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pd2+ and one I5+ atom. The O–I bond length is 1.88 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pd2+ and one I5+ atom. The O–I bond length is 1.85 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1198404
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; Pd(IO3)2; I-O-Pd
OSTI Identifier:
1732849
DOI:
https://doi.org/10.17188/1732849

Citation Formats

The Materials Project. Materials Data on Pd(IO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732849.
The Materials Project. Materials Data on Pd(IO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732849
The Materials Project. 2019. "Materials Data on Pd(IO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732849. https://www.osti.gov/servlets/purl/1732849. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732849,
title = {Materials Data on Pd(IO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd(O3I)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Pd(O3I)2 sheets oriented in the (0, 0, 1) direction. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Pd–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pd2+ and one I5+ atom. The O–I bond length is 1.88 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pd2+ and one I5+ atom. The O–I bond length is 1.85 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1732849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}