Materials Data on Sr2La4Mg2RuO12 by Materials Project

doi:10.17188/1721311

Title: Materials Data on Sr2La4Mg2RuO12 by Materials Project

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Abstract

Sr2Mg2La4RuO12 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.33–2.78 Å. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Mg–O bond distances ranging from 1.96–2.28 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 2.33–2.82 Å. In the second 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 2.49–2.80 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.96 Å) and two longer (2.12 Å) Ru–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Mg2+ and five equivalent La3+ atoms. In the second O2- site, O2- is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1218777

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; Sr2La4Mg2RuO12; La-Mg-O-Ru-Sr

OSTI Identifier:: 1721311

DOI:: https://doi.org/10.17188/1721311

Citation Formats


                    The Materials Project. Materials Data on Sr2La4Mg2RuO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721311.

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                    The Materials Project. Materials Data on Sr2La4Mg2RuO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721311

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                    The Materials Project. 2020.  
"Materials Data on Sr2La4Mg2RuO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721311.  https://www.osti.gov/servlets/purl/1721311. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721311,

  title        = {Materials Data on Sr2La4Mg2RuO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Mg2La4RuO12 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.33–2.78 Å. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Mg–O bond distances ranging from 1.96–2.28 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 2.33–2.82 Å. In the second 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 2.49–2.80 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.96 Å) and two longer (2.12 Å) Ru–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Mg2+ and five equivalent La3+ atoms. In the second O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ru4+ atom to form distorted OSr4LaRu octahedra that share corners with seventeen OLa4Mg2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to one Sr2+, one Mg2+, and four equivalent La3+ atoms to form distorted OSrLa4Mg octahedra that share corners with sixteen OLa4Mg2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OLa4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 18–51°. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and four La3+ atoms to form a mixture of distorted edge, face, and corner-sharing OLa4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 1–51°. In the fifth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},

  doi          = {10.17188/1721311},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1721311

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