Materials Data on SrP2 by Materials Project

doi:10.17188/1682158

Title: Materials Data on SrP2 by Materials Project

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Abstract

SrP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine P1- atoms. There are a spread of Sr–P bond distances ranging from 3.16–3.44 Å. In the second Sr2+ site, Sr2+ is bonded to six P1- atoms to form SrP6 octahedra that share corners with four equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 32–77°. There are a spread of Sr–P bond distances ranging from 3.07–3.09 Å. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. There are one shorter (2.21 Å) and one longer (2.25 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. The P–P bond length is 2.22 Å. In the third P1- site, P1- is bonded to four Sr2+ and two P1- atoms to form distorted PSr4P2 octahedra that share corners with two equivalent SrP6 octahedra and corners with seven equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 0–102°.

Publication Date:: Sun May 03 04:00:00 UTC 2020

Other Number(s):: mp-1105302

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; P-Sr; SrP2; crystal structure

OSTI Identifier:: 1682158

DOI:: https://doi.org/10.17188/1682158

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                    Materials Data on SrP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682158.

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                    Materials Data on SrP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682158

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                    2020.  
"Materials Data on SrP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682158.  https://www.osti.gov/servlets/purl/1682158. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1682158,

  title        = {Materials Data on SrP2 by Materials Project},

  
  abstractNote = {SrP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine P1- atoms. There are a spread of Sr–P bond distances ranging from 3.16–3.44 Å. In the second Sr2+ site, Sr2+ is bonded to six P1- atoms to form SrP6 octahedra that share corners with four equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 32–77°. There are a spread of Sr–P bond distances ranging from 3.07–3.09 Å. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. There are one shorter (2.21 Å) and one longer (2.25 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. The P–P bond length is 2.22 Å. In the third P1- site, P1- is bonded to four Sr2+ and two P1- atoms to form distorted PSr4P2 octahedra that share corners with two equivalent SrP6 octahedra and corners with seven equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 0–102°.},

  doi          = {10.17188/1682158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 04:00:00 UTC 2020},

  month        = {Sun May 03 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1682158

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