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Title: Materials Data on Tl2NiSe2 by Materials Project

Abstract

Ni(TlSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one TlSe framework. In the TlSe framework, Tl1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 3.12 Å. Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Se2- atom. The Se–Se bond length is 2.46 Å.

Publication Date:
Other Number(s):
mp-1206900
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; Tl2NiSe2; Ni-Se-Tl
OSTI Identifier:
1664243
DOI:
https://doi.org/10.17188/1664243

Citation Formats

The Materials Project. Materials Data on Tl2NiSe2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664243.
The Materials Project. Materials Data on Tl2NiSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1664243
The Materials Project. 2019. "Materials Data on Tl2NiSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1664243. https://www.osti.gov/servlets/purl/1664243. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1664243,
title = {Materials Data on Tl2NiSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(TlSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one TlSe framework. In the TlSe framework, Tl1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 3.12 Å. Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Se2- atom. The Se–Se bond length is 2.46 Å.},
doi = {10.17188/1664243},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}