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Title: Materials Data on Tl2Ni(CN)4 by Materials Project

Abstract

Ni(Tl(CN)2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two nickel molecules and one Tl(CN)2 framework. In the Tl(CN)2 framework, Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.83–3.11 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom.

Publication Date:
Other Number(s):
mp-569704
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; Tl2Ni(CN)4; C-N-Ni-Tl
OSTI Identifier:
1275224
DOI:
10.17188/1275224

Citation Formats

The Materials Project. Materials Data on Tl2Ni(CN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275224.
The Materials Project. Materials Data on Tl2Ni(CN)4 by Materials Project. United States. doi:10.17188/1275224.
The Materials Project. 2020. "Materials Data on Tl2Ni(CN)4 by Materials Project". United States. doi:10.17188/1275224. https://www.osti.gov/servlets/purl/1275224. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275224,
title = {Materials Data on Tl2Ni(CN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(Tl(CN)2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two nickel molecules and one Tl(CN)2 framework. In the Tl(CN)2 framework, Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.83–3.11 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom.},
doi = {10.17188/1275224},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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