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Title: Materials Data on NdTlSe2 by Materials Project

Abstract

TlNdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Nd–Se bond lengths are 2.99 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent NdSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-568588
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; NdTlSe2; Nd-Se-Tl
OSTI Identifier:
1274530
DOI:
10.17188/1274530

Citation Formats

The Materials Project. Materials Data on NdTlSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274530.
The Materials Project. Materials Data on NdTlSe2 by Materials Project. United States. doi:10.17188/1274530.
The Materials Project. 2020. "Materials Data on NdTlSe2 by Materials Project". United States. doi:10.17188/1274530. https://www.osti.gov/servlets/purl/1274530. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274530,
title = {Materials Data on NdTlSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlNdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Nd–Se bond lengths are 2.99 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent NdSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1274530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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