DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ta2PdSe6 by Materials Project

Abstract

Ta2PdSe6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ta2PdSe6 sheet oriented in the (2, 0, -1) direction. Ta5+ is bonded to seven Se2- atoms to form a mixture of distorted face and edge-sharing TaSe7 pentagonal bipyramids. There are a spread of Ta–Se bond distances ranging from 2.62–2.77 Å. Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. All Pd–Se bond lengths are 2.49 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pd2+ atom. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta5+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pd2+ atom.

Publication Date:
Other Number(s):
mp-8436
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; Ta2PdSe6; Pd-Se-Ta
OSTI Identifier:
1308103
DOI:
https://doi.org/10.17188/1308103

Citation Formats

The Materials Project. Materials Data on Ta2PdSe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308103.
The Materials Project. Materials Data on Ta2PdSe6 by Materials Project. United States. doi:https://doi.org/10.17188/1308103
The Materials Project. 2020. "Materials Data on Ta2PdSe6 by Materials Project". United States. doi:https://doi.org/10.17188/1308103. https://www.osti.gov/servlets/purl/1308103. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308103,
title = {Materials Data on Ta2PdSe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2PdSe6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ta2PdSe6 sheet oriented in the (2, 0, -1) direction. Ta5+ is bonded to seven Se2- atoms to form a mixture of distorted face and edge-sharing TaSe7 pentagonal bipyramids. There are a spread of Ta–Se bond distances ranging from 2.62–2.77 Å. Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. All Pd–Se bond lengths are 2.49 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pd2+ atom. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta5+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pd2+ atom.},
doi = {10.17188/1308103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}