Materials Data on Sr(PIr)2 by Materials Project

doi:10.17188/1191014

Title: Materials Data on Sr(PIr)2 by Materials Project

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Abstract

Sr(IrP)2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to five Ir and six equivalent P atoms. There are one shorter (3.20 Å) and four longer (3.37 Å) Sr–Ir bond lengths. There are a spread of Sr–P bond distances ranging from 3.11–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Sr and four equivalent P atoms. There are two shorter (2.34 Å) and two longer (2.42 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 6-coordinate geometry to two equivalent Sr and four equivalent P atoms. There are two shorter (2.29 Å) and two longer (2.34 Å) Ir–P bond lengths. P is bonded to three equivalent Sr and four Ir atoms to form a mixture of distorted corner, edge, and face-sharing PSr3Ir4 pentagonal bipyramids.

Publication Date:: 2017-05-11

Other Number(s):: mp-15074

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; Ir-P-Sr; Sr(PIr)2; crystal structure

OSTI Identifier:: 1191014

DOI:: https://doi.org/10.17188/1191014

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                    Materials Data on Sr(PIr)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1191014.

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                    Materials Data on Sr(PIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191014

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                    2017.  
"Materials Data on Sr(PIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191014.  https://www.osti.gov/servlets/purl/1191014. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1191014,

  title        = {Materials Data on Sr(PIr)2 by Materials Project},

  
  abstractNote = {Sr(IrP)2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to five Ir and six equivalent P atoms. There are one shorter (3.20 Å) and four longer (3.37 Å) Sr–Ir bond lengths. There are a spread of Sr–P bond distances ranging from 3.11–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Sr and four equivalent P atoms. There are two shorter (2.34 Å) and two longer (2.42 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 6-coordinate geometry to two equivalent Sr and four equivalent P atoms. There are two shorter (2.29 Å) and two longer (2.34 Å) Ir–P bond lengths. P is bonded to three equivalent Sr and four Ir atoms to form a mixture of distorted corner, edge, and face-sharing PSr3Ir4 pentagonal bipyramids.},

  doi          = {10.17188/1191014},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1191014

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