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Title: Materials Data on Tl2Pt(CN)4 by Materials Project

Abstract

PtTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pt2+ is bonded in a distorted octahedral geometry to two equivalent Tl1+ and four C2+ atoms. Both Pt–Tl bond lengths are 3.14 Å. All Pt–C bond lengths are 2.00 Å. Tl1+ is bonded to one Pt2+ and five N3- atoms to form a mixture of distorted edge and corner-sharing TlPtN5 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. There are a spread of Tl–N bond distances ranging from 2.80–3.03 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and 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 Pt2+ 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 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-621092
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; Tl2Pt(CN)4; C-N-Pt-Tl
OSTI Identifier:
1278039
DOI:
10.17188/1278039

Citation Formats

The Materials Project. Materials Data on Tl2Pt(CN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278039.
The Materials Project. Materials Data on Tl2Pt(CN)4 by Materials Project. United States. doi:10.17188/1278039.
The Materials Project. 2020. "Materials Data on Tl2Pt(CN)4 by Materials Project". United States. doi:10.17188/1278039. https://www.osti.gov/servlets/purl/1278039. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278039,
title = {Materials Data on Tl2Pt(CN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {PtTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pt2+ is bonded in a distorted octahedral geometry to two equivalent Tl1+ and four C2+ atoms. Both Pt–Tl bond lengths are 3.14 Å. All Pt–C bond lengths are 2.00 Å. Tl1+ is bonded to one Pt2+ and five N3- atoms to form a mixture of distorted edge and corner-sharing TlPtN5 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. There are a spread of Tl–N bond distances ranging from 2.80–3.03 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and 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 Pt2+ 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 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 = {10.17188/1278039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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