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Title: Materials Data on K2Pd(CN)4 by Materials Project

Abstract

K2Pd(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.83–3.34 Å. Pd2+ is bonded in a square co-planar geometry to four C2+ atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pd–C bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent K1+ and one C2+ atom.

Publication Date:
Other Number(s):
mp-11893
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; K2Pd(CN)4; C-K-N-Pd
OSTI Identifier:
1188454
DOI:
https://doi.org/10.17188/1188454

Citation Formats

The Materials Project. Materials Data on K2Pd(CN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188454.
The Materials Project. Materials Data on K2Pd(CN)4 by Materials Project. United States. doi:https://doi.org/10.17188/1188454
The Materials Project. 2020. "Materials Data on K2Pd(CN)4 by Materials Project". United States. doi:https://doi.org/10.17188/1188454. https://www.osti.gov/servlets/purl/1188454. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188454,
title = {Materials Data on K2Pd(CN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Pd(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.83–3.34 Å. Pd2+ is bonded in a square co-planar geometry to four C2+ atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pd–C bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent K1+ and one C2+ atom.},
doi = {10.17188/1188454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}