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Title: Materials Data on Na2PtSe2 by Materials Project

Abstract

Na2PtSe2 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 3.00–3.08 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 2.99–3.33 Å. Pt2+ is bonded in a square co-planar geometry to four Se2- atoms. All Pt–Se bond lengths are 2.50 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Pt2+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Pt2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-14588
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; Na2PtSe2; Na-Pt-Se
OSTI Identifier:
1190738
DOI:
https://doi.org/10.17188/1190738

Citation Formats

The Materials Project. Materials Data on Na2PtSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190738.
The Materials Project. Materials Data on Na2PtSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1190738
The Materials Project. 2020. "Materials Data on Na2PtSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1190738. https://www.osti.gov/servlets/purl/1190738. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190738,
title = {Materials Data on Na2PtSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PtSe2 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 3.00–3.08 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 2.99–3.33 Å. Pt2+ is bonded in a square co-planar geometry to four Se2- atoms. All Pt–Se bond lengths are 2.50 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Pt2+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Pt2+ atoms.},
doi = {10.17188/1190738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}