Materials Data on Ba3P2 by Materials Project

doi:10.17188/1330030

Title: Materials Data on Ba3P2 by Materials Project

Dataset

Abstract

Ba3P2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ba3P framework. In the Ba3P framework, Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.02 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1013551

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; Ba3P2; Ba-P

OSTI Identifier:: 1330030

DOI:: https://doi.org/10.17188/1330030

Citation Formats


                    The Materials Project. Materials Data on Ba3P2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1330030.

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                    The Materials Project. Materials Data on Ba3P2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1330030

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                    The Materials Project. 2020.  
"Materials Data on Ba3P2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1330030.  https://www.osti.gov/servlets/purl/1330030. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1330030,

  title        = {Materials Data on Ba3P2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3P2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ba3P framework. In the Ba3P framework, Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.02 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1330030},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1330030

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