Materials Data on Sr2ZnP2 by Materials Project

doi:10.17188/1746677

Title: Materials Data on Sr2ZnP2 by Materials Project

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Abstract

Sr2ZnP2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six P3- atoms to form a mixture of distorted edge, face, and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are three shorter (2.99 Å) and three longer (3.50 Å) Sr–P bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Sr2+ atoms to form distorted edge-sharing PSr6 pentagonal pyramids. In the second P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1218384

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; Sr2ZnP2; P-Sr-Zn

OSTI Identifier:: 1746677

DOI:: https://doi.org/10.17188/1746677

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                    The Materials Project. Materials Data on Sr2ZnP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746677.

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                    The Materials Project. Materials Data on Sr2ZnP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746677

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                    The Materials Project. 2020.  
"Materials Data on Sr2ZnP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746677.  https://www.osti.gov/servlets/purl/1746677. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746677,

  title        = {Materials Data on Sr2ZnP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2ZnP2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six P3- atoms to form a mixture of distorted edge, face, and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are three shorter (2.99 Å) and three longer (3.50 Å) Sr–P bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Sr2+ atoms to form distorted edge-sharing PSr6 pentagonal pyramids. In the second P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.},

  doi          = {10.17188/1746677},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746677

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