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Title: Materials Data on Na2PdSe2 by Materials Project

Abstract

Na2PdSe2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five Se2- atoms to form distorted corner-sharing NaSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.96–3.09 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.01–3.33 Å. Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. All Pd–Se bond lengths are 2.51 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Pd2+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Pd2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1078751
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2PdSe2; Na-Pd-Se
OSTI Identifier:
1738451
DOI:
https://doi.org/10.17188/1738451

Citation Formats

The Materials Project. Materials Data on Na2PdSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738451.
The Materials Project. Materials Data on Na2PdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1738451
The Materials Project. 2020. "Materials Data on Na2PdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1738451. https://www.osti.gov/servlets/purl/1738451. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1738451,
title = {Materials Data on Na2PdSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PdSe2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five Se2- atoms to form distorted corner-sharing NaSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.96–3.09 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.01–3.33 Å. Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. All Pd–Se bond lengths are 2.51 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Pd2+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Pd2+ atoms.},
doi = {10.17188/1738451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}