Materials Data on MnGeO3 by Materials Project

doi:10.17188/1674773

Title: Materials Data on MnGeO3 by Materials Project

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Abstract

MnGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.17–2.29 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.11–2.43 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven MnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Ge–O bond distances ranging from 1.73–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Mn2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OMn3Ge trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn2+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1106201

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; MnGeO3; Ge-Mn-O

OSTI Identifier:: 1674773

DOI:: https://doi.org/10.17188/1674773

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                    The Materials Project. Materials Data on MnGeO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674773.

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                    The Materials Project. Materials Data on MnGeO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674773

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                    The Materials Project. 2020.  
"Materials Data on MnGeO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674773.  https://www.osti.gov/servlets/purl/1674773. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1674773,

  title        = {Materials Data on MnGeO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.17–2.29 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.11–2.43 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven MnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Ge–O bond distances ranging from 1.73–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Mn2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OMn3Ge trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mn2+ and two equivalent Ge4+ atoms.},

  doi          = {10.17188/1674773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1674773

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