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Title: Materials Data on Tl2Pd(CN)4 by Materials Project

Abstract

PdTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pd–C bond lengths are 1.99 Å. Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.91–3.19 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted linear 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 linear 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 distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1192067
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; Tl2Pd(CN)4; C-N-Pd-Tl
OSTI Identifier:
1681012
DOI:
https://doi.org/10.17188/1681012

Citation Formats

The Materials Project. Materials Data on Tl2Pd(CN)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1681012.
The Materials Project. Materials Data on Tl2Pd(CN)4 by Materials Project. United States. doi:https://doi.org/10.17188/1681012
The Materials Project. 2019. "Materials Data on Tl2Pd(CN)4 by Materials Project". United States. doi:https://doi.org/10.17188/1681012. https://www.osti.gov/servlets/purl/1681012. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1681012,
title = {Materials Data on Tl2Pd(CN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {PdTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pd–C bond lengths are 1.99 Å. Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.91–3.19 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted linear 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 linear 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 distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.},
doi = {10.17188/1681012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}