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Title: Materials Data on PdSe by Materials Project

Abstract

PdSe crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.45 Å) and two longer (2.49 Å) Pd–Se bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.49 Å) and two longer (2.52 Å) Pd–Se bond lengths. In the third Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. All Pd–Se bond lengths are 2.48 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Pd2+ atoms to form a mixture of distorted edge and corner-sharing SePd4 tetrahedra. In the second Se2- site, Se2- is bonded to four Pd2+ atoms to form a mixture of distorted edge and corner-sharing SePd4 tetrahedra.

Publication Date:
Other Number(s):
mp-571383
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; PdSe; Pd-Se
OSTI Identifier:
1276227
DOI:
10.17188/1276227

Citation Formats

The Materials Project. Materials Data on PdSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276227.
The Materials Project. Materials Data on PdSe by Materials Project. United States. doi:10.17188/1276227.
The Materials Project. 2020. "Materials Data on PdSe by Materials Project". United States. doi:10.17188/1276227. https://www.osti.gov/servlets/purl/1276227. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1276227,
title = {Materials Data on PdSe by Materials Project},
author = {The Materials Project},
abstractNote = {PdSe crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.45 Å) and two longer (2.49 Å) Pd–Se bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.49 Å) and two longer (2.52 Å) Pd–Se bond lengths. In the third Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. All Pd–Se bond lengths are 2.48 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Pd2+ atoms to form a mixture of distorted edge and corner-sharing SePd4 tetrahedra. In the second Se2- site, Se2- is bonded to four Pd2+ atoms to form a mixture of distorted edge and corner-sharing SePd4 tetrahedra.},
doi = {10.17188/1276227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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