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Title: Materials Data on TlPd2Se3 by Materials Project

Abstract

Pd2TlSe3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six equivalent Se+1.67- atoms to form edge-sharing PdSe6 octahedra. All Pd–Se bond lengths are 2.55 Å. In the second Pd2+ site, Pd2+ is bonded to two equivalent Tl1+ and four equivalent Se+1.67- atoms to form edge-sharing PdTl2Se4 octahedra. Both Pd–Tl bond lengths are 3.06 Å. All Pd–Se bond lengths are 2.50 Å. Tl1+ is bonded in a 6-coordinate geometry to three equivalent Pd2+ and three equivalent Se+1.67- atoms. All Tl–Se bond lengths are 3.38 Å. Se+1.67- is bonded in a 4-coordinate geometry to three Pd2+ and one Tl1+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1285659
Report Number(s):
mp-7038
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; TlPd2Se3; Pd-Se-Tl

Citation Formats

The Materials Project. Materials Data on TlPd2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285659.
The Materials Project. Materials Data on TlPd2Se3 by Materials Project. United States. https://doi.org/10.17188/1285659
The Materials Project. 2020. "Materials Data on TlPd2Se3 by Materials Project". United States. https://doi.org/10.17188/1285659. https://www.osti.gov/servlets/purl/1285659.
@article{osti_1285659,
title = {Materials Data on TlPd2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd2TlSe3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six equivalent Se+1.67- atoms to form edge-sharing PdSe6 octahedra. All Pd–Se bond lengths are 2.55 Å. In the second Pd2+ site, Pd2+ is bonded to two equivalent Tl1+ and four equivalent Se+1.67- atoms to form edge-sharing PdTl2Se4 octahedra. Both Pd–Tl bond lengths are 3.06 Å. All Pd–Se bond lengths are 2.50 Å. Tl1+ is bonded in a 6-coordinate geometry to three equivalent Pd2+ and three equivalent Se+1.67- atoms. All Tl–Se bond lengths are 3.38 Å. Se+1.67- is bonded in a 4-coordinate geometry to three Pd2+ and one Tl1+ atom.},
doi = {10.17188/1285659},
url = {https://www.osti.gov/biblio/1285659}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}