Materials Data on SrPrMn2O6 by Materials Project

doi:10.17188/1653153

Title: Materials Data on SrPrMn2O6 by Materials Project

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Abstract

SrPrMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 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 2.50–3.07 Å. Pr3+ is bonded in a 9-coordinate geometry to six O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.57 Å. Mn+3.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1218059

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; SrPrMn2O6; Mn-O-Pr-Sr

OSTI Identifier:: 1653153

DOI:: https://doi.org/10.17188/1653153

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                    The Materials Project. Materials Data on SrPrMn2O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653153.

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                    The Materials Project. Materials Data on SrPrMn2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653153

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                    The Materials Project. 2020.  
"Materials Data on SrPrMn2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653153.  https://www.osti.gov/servlets/purl/1653153. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1653153,

  title        = {Materials Data on SrPrMn2O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrPrMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 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 2.50–3.07 Å. Pr3+ is bonded in a 9-coordinate geometry to six O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.57 Å. Mn+3.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms.},

  doi          = {10.17188/1653153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1653153

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