Materials Data on SrLaMn2O6 by Materials Project

doi:10.17188/1207652

Title: Materials Data on SrLaMn2O6 by Materials Project

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Abstract

SrLaMn2O6 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra and faces with eight equivalent MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.61–2.98 Å. La3+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.51 Å) and four longer (2.74 Å) La–O bond lengths. Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. There are a spread of Mn–O bond distances ranging from 1.96–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one La3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one La3+, and two equivalent Mn+3.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-39412

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; SrLaMn2O6; La-Mn-O-Sr

OSTI Identifier:: 1207652

DOI:: https://doi.org/10.17188/1207652

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                    The Materials Project. Materials Data on SrLaMn2O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207652.

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                    The Materials Project. Materials Data on SrLaMn2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207652

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                    The Materials Project. 2020.  
"Materials Data on SrLaMn2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207652.  https://www.osti.gov/servlets/purl/1207652. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1207652,

  title        = {Materials Data on SrLaMn2O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrLaMn2O6 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra and faces with eight equivalent MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.61–2.98 Å. La3+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.51 Å) and four longer (2.74 Å) La–O bond lengths. Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. There are a spread of Mn–O bond distances ranging from 1.96–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one La3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one La3+, and two equivalent Mn+3.50+ atoms.},

  doi          = {10.17188/1207652},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207652

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