Materials Data on Ca3PN by Materials Project

doi:10.17188/1330019

Title: Materials Data on Ca3PN by Materials Project

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Abstract

Ca3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3P framework. In the Ca3P framework, Ca2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ca–P bond lengths are 2.65 Å. P3- is bonded to six equivalent Ca2+ atoms to form corner-sharing PCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-05-02

Other Number(s):: mp-1013540

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca-N-P; Ca3PN; crystal structure

OSTI Identifier:: 1330019

DOI:: https://doi.org/10.17188/1330019

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                    Materials Data on Ca3PN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1330019.

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                    Materials Data on Ca3PN by Materials Project.  United States.  doi:https://doi.org/10.17188/1330019

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                    2020.  
"Materials Data on Ca3PN by Materials Project".  United States.  doi:https://doi.org/10.17188/1330019.  https://www.osti.gov/servlets/purl/1330019. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1330019,

  title        = {Materials Data on Ca3PN by Materials Project},

  
  abstractNote = {Ca3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3P framework. In the Ca3P framework, Ca2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ca–P bond lengths are 2.65 Å. P3- is bonded to six equivalent Ca2+ atoms to form corner-sharing PCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1330019},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1330019

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