Materials Data on Na3PO4 by Materials Project

doi:10.17188/1677727

Title: Materials Data on Na3PO4 by Materials Project

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Abstract

Na3PO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.30 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.56 Å. P5+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All P–O bond lengths are 1.64 Å. O2- is bonded in a 6-coordinate geometry to five Na1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1221205

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; Na3PO4; Na-O-P

OSTI Identifier:: 1677727

DOI:: https://doi.org/10.17188/1677727

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                    The Materials Project. Materials Data on Na3PO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677727.

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                    The Materials Project. Materials Data on Na3PO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677727

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                    The Materials Project. 2020.  
"Materials Data on Na3PO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677727.  https://www.osti.gov/servlets/purl/1677727. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1677727,

  title        = {Materials Data on Na3PO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3PO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.30 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.56 Å. P5+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All P–O bond lengths are 1.64 Å. O2- is bonded in a 6-coordinate geometry to five Na1+ and one P5+ atom.},

  doi          = {10.17188/1677727},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677727

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