Materials Data on LaCeMn2O6 by Materials Project

doi:10.17188/1686953

Title: Materials Data on LaCeMn2O6 by Materials Project

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Abstract

CeLaMn2O6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ce3+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.24 Å) and six longer (2.83 Å) Ce–O bond lengths. La3+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.36 Å) and six longer (2.85 Å) La–O bond lengths. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are three shorter (2.04 Å) and three longer (2.08 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ce3+, one La3+, and two equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent La3+, and two equivalent Mn3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1222969

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; LaCeMn2O6; Ce-La-Mn-O

OSTI Identifier:: 1686953

DOI:: https://doi.org/10.17188/1686953

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                    The Materials Project. Materials Data on LaCeMn2O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686953.

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                    The Materials Project. Materials Data on LaCeMn2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686953

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                    The Materials Project. 2020.  
"Materials Data on LaCeMn2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686953.  https://www.osti.gov/servlets/purl/1686953. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1686953,

  title        = {Materials Data on LaCeMn2O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeLaMn2O6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ce3+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.24 Å) and six longer (2.83 Å) Ce–O bond lengths. La3+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.36 Å) and six longer (2.85 Å) La–O bond lengths. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are three shorter (2.04 Å) and three longer (2.08 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ce3+, one La3+, and two equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent La3+, and two equivalent Mn3+ atoms.},

  doi          = {10.17188/1686953},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1686953

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