Materials Data on RbLa9(IrO6)4 by Materials Project

doi:10.17188/1271599

Title: Materials Data on RbLa9(IrO6)4 by Materials Project

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Abstract

RbLa9(IrO6)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Rb–O bond lengths are 2.69 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.89 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are two shorter (2.28 Å) and four longer (2.47 Å) La–O bond lengths. There are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.95 Å) and four longer (2.04 Å) Ir–O bond length. In the second Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share a cornercorner with one LaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ir–O bondmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-560657

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; RbLa9(IrO6)4; Ir-La-O-Rb

OSTI Identifier:: 1271599

DOI:: https://doi.org/10.17188/1271599

Citation Formats


                    The Materials Project. Materials Data on RbLa9(IrO6)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271599.

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                    The Materials Project. Materials Data on RbLa9(IrO6)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271599

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                    The Materials Project. 2020.  
"Materials Data on RbLa9(IrO6)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271599.  https://www.osti.gov/servlets/purl/1271599. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1271599,

  title        = {Materials Data on RbLa9(IrO6)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbLa9(IrO6)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Rb–O bond lengths are 2.69 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.89 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are two shorter (2.28 Å) and four longer (2.47 Å) La–O bond lengths. There are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.95 Å) and four longer (2.04 Å) Ir–O bond length. In the second Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share a cornercorner with one LaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ir–O bond distances ranging from 1.95–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to five La3+ and one Ir5+ atom. In the third O2- site, O2- is bonded to one Rb1+, four equivalent La3+, and one Ir5+ atom to form distorted corner-sharing ORbLa4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ and one Ir5+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Ir5+ atom.},

  doi          = {10.17188/1271599},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271599

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