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Title: Materials Data on NaPt2Se3 by Materials Project

Abstract

NaPt2Se3 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two NaPt2Se3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three equivalent Se+1.67- atoms. All Na–Se bond lengths are 3.23 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three equivalent Se+1.67- atoms. All Na–Se bond lengths are 3.18 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four Se+1.67- atoms. There are two shorter (2.47 Å) and two longer (2.48 Å) Pt–Se bond lengths. In the second Pt2+ site, Pt2+ is bonded in an octahedral geometry to six Se+1.67- atoms. There are three shorter (2.54 Å) and three longer (2.55 Å) Pt–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded to one Na1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SeNaPt3 trigonal pyramids. In the second Se+1.67- site, Se+1.67- is bonded to one Na1+ and three Pt2+ atoms to form a mixture of distortedmore » edge and corner-sharing SeNaPt3 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-28987
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; NaPt2Se3; Na-Pt-Se
OSTI Identifier:
1203040
DOI:
https://doi.org/10.17188/1203040

Citation Formats

The Materials Project. Materials Data on NaPt2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203040.
The Materials Project. Materials Data on NaPt2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1203040
The Materials Project. 2020. "Materials Data on NaPt2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1203040. https://www.osti.gov/servlets/purl/1203040. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203040,
title = {Materials Data on NaPt2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaPt2Se3 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two NaPt2Se3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three equivalent Se+1.67- atoms. All Na–Se bond lengths are 3.23 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three equivalent Se+1.67- atoms. All Na–Se bond lengths are 3.18 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four Se+1.67- atoms. There are two shorter (2.47 Å) and two longer (2.48 Å) Pt–Se bond lengths. In the second Pt2+ site, Pt2+ is bonded in an octahedral geometry to six Se+1.67- atoms. There are three shorter (2.54 Å) and three longer (2.55 Å) Pt–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded to one Na1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SeNaPt3 trigonal pyramids. In the second Se+1.67- site, Se+1.67- is bonded to one Na1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SeNaPt3 trigonal pyramids.},
doi = {10.17188/1203040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}