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Title: Materials Data on K2PdN2(ClO2)2 by Materials Project

Abstract

K2PdN2(O2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded to five O2- and three equivalent Cl1- atoms to form distorted edge-sharing KCl3O5 hexagonal bipyramids. There are a spread of K–O bond distances ranging from 2.88–3.12 Å. There are a spread of K–Cl bond distances ranging from 3.18–3.23 Å. Pd2+ is bonded in a distorted square co-planar geometry to two equivalent N3+ and two equivalent Cl1- atoms. Both Pd–N bond lengths are 2.06 Å. Both Pd–Cl bond lengths are 2.33 Å. N3+ is bonded in a distorted bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N3+ atom. Cl1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Pd2+ atom.

Publication Date:
Other Number(s):
mp-1180897
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; K2PdN2(ClO2)2; Cl-K-N-O-Pd
OSTI Identifier:
1678057
DOI:
https://doi.org/10.17188/1678057

Citation Formats

The Materials Project. Materials Data on K2PdN2(ClO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678057.
The Materials Project. Materials Data on K2PdN2(ClO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678057
The Materials Project. 2020. "Materials Data on K2PdN2(ClO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678057. https://www.osti.gov/servlets/purl/1678057. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678057,
title = {Materials Data on K2PdN2(ClO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PdN2(O2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded to five O2- and three equivalent Cl1- atoms to form distorted edge-sharing KCl3O5 hexagonal bipyramids. There are a spread of K–O bond distances ranging from 2.88–3.12 Å. There are a spread of K–Cl bond distances ranging from 3.18–3.23 Å. Pd2+ is bonded in a distorted square co-planar geometry to two equivalent N3+ and two equivalent Cl1- atoms. Both Pd–N bond lengths are 2.06 Å. Both Pd–Cl bond lengths are 2.33 Å. N3+ is bonded in a distorted bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N3+ atom. Cl1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Pd2+ atom.},
doi = {10.17188/1678057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}