Materials Data on SrLa6OsI12 by Materials Project

doi:10.17188/1273863

Title: Materials Data on SrLa6OsI12 by Materials Project

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Abstract

SrLa6OsI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share edges with six equivalent LaOsI5 octahedra. All Sr–I bond lengths are 3.29 Å. La2+ is bonded to one Os2- and five I1- atoms to form LaOsI5 octahedra that share corners with three equivalent LaOsI5 octahedra, an edgeedge with one SrI6 octahedra, and edges with five equivalent LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 2.88 Å. There are a spread of La–I bond distances ranging from 3.25–3.52 Å. Os2- is bonded in an octahedral geometry to six equivalent La2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one Sr2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent La2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-567419

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; SrLa6OsI12; I-La-Os-Sr

OSTI Identifier:: 1273863

DOI:: https://doi.org/10.17188/1273863

Citation Formats


                    The Materials Project. Materials Data on SrLa6OsI12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273863.

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                    The Materials Project. Materials Data on SrLa6OsI12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273863

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                    The Materials Project. 2020.  
"Materials Data on SrLa6OsI12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273863.  https://www.osti.gov/servlets/purl/1273863. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1273863,

  title        = {Materials Data on SrLa6OsI12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrLa6OsI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share edges with six equivalent LaOsI5 octahedra. All Sr–I bond lengths are 3.29 Å. La2+ is bonded to one Os2- and five I1- atoms to form LaOsI5 octahedra that share corners with three equivalent LaOsI5 octahedra, an edgeedge with one SrI6 octahedra, and edges with five equivalent LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 2.88 Å. There are a spread of La–I bond distances ranging from 3.25–3.52 Å. Os2- is bonded in an octahedral geometry to six equivalent La2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one Sr2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent La2+ atoms.},

  doi          = {10.17188/1273863},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1273863

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