Materials Data on Nd2MnCoO6 by Materials Project

doi:10.17188/1194257

Title: Materials Data on Nd2MnCoO6 by Materials Project

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Abstract

Nd2CoMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.72 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There is four shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of Co–O bond distances ranging from 2.05–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+, one Mn2+, and one Co4+ atom to form distorted corner-sharing ONd2MnCo tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Mn2+, and one Co4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Mn2+, and one Co4+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-19336

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; Nd2MnCoO6; Co-Mn-Nd-O

OSTI Identifier:: 1194257

DOI:: https://doi.org/10.17188/1194257

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                    The Materials Project. Materials Data on Nd2MnCoO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194257.

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                    The Materials Project. Materials Data on Nd2MnCoO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194257

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                    The Materials Project. 2020.  
"Materials Data on Nd2MnCoO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194257.  https://www.osti.gov/servlets/purl/1194257. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1194257,

  title        = {Materials Data on Nd2MnCoO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2CoMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.72 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There is four shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are a spread of Co–O bond distances ranging from 2.05–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+, one Mn2+, and one Co4+ atom to form distorted corner-sharing ONd2MnCo tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Mn2+, and one Co4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Mn2+, and one Co4+ atom.},

  doi          = {10.17188/1194257},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194257

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