Materials Data on Sr2La2Cr3MoO12 by Materials Project

doi:10.17188/1758519

Title: Materials Data on Sr2La2Cr3MoO12 by Materials Project

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Abstract

Sr2La2MoCr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.16 Å. La3+ is bonded in a 9-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.60 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 17–20°. There is two shorter (1.93 Å) and four longer (2.03 Å) Mo–O bond length. There are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. All Cr–O bond lengths are 2.01 Å. In the second Cr+2.67+ site, Cr+2.67+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with three equivalent MoO6 octahedra and corners with three equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. There are a spread of Cr–O bond distances ranging from 1.98–2.06 Å. There are four inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1218810

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; Sr2La2Cr3MoO12; Cr-La-Mo-O-Sr

OSTI Identifier:: 1758519

DOI:: https://doi.org/10.17188/1758519

Citation Formats


                    The Materials Project. Materials Data on Sr2La2Cr3MoO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758519.

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                    The Materials Project. Materials Data on Sr2La2Cr3MoO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758519

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                    The Materials Project. 2020.  
"Materials Data on Sr2La2Cr3MoO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758519.  https://www.osti.gov/servlets/purl/1758519. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758519,

  title        = {Materials Data on Sr2La2Cr3MoO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2La2MoCr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.16 Å. La3+ is bonded in a 9-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.60 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 17–20°. There is two shorter (1.93 Å) and four longer (2.03 Å) Mo–O bond length. There are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. All Cr–O bond lengths are 2.01 Å. In the second Cr+2.67+ site, Cr+2.67+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with three equivalent MoO6 octahedra and corners with three equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. There are a spread of Cr–O bond distances ranging from 1.98–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one La3+, and two Cr+2.67+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+, one La3+, one Mo6+, and one Cr+2.67+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one La3+, and two Cr+2.67+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Mo6+, and one Cr+2.67+ atom.},

  doi          = {10.17188/1758519},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1758519

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