Materials Data on Na2PdSe2 by Materials Project

doi:10.17188/1738451

Title: Materials Data on Na2PdSe2 by Materials Project

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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:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Na2PdSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738451.

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                    The Materials Project. Materials Data on Na2PdSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738451

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                    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

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@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         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738451

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