Materials Data on MnFeSiO4 by Materials Project

doi:10.17188/1740217

Title: Materials Data on MnFeSiO4 by Materials Project

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Abstract

FeMn(SiO4) is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent FeO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with two equivalent MnO6 octahedra, edges with two equivalent FeO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–67°. There are a spread of Mn–O bond distances ranging from 2.19–2.28 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent MnO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Fe–O bond distances ranging from 2.13–2.34 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, an edgeedge with one FeO6 octahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Si–O bond distances ranging frommore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1221755

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; MnFeSiO4; Fe-Mn-O-Si

OSTI Identifier:: 1740217

DOI:: https://doi.org/10.17188/1740217

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                    The Materials Project. Materials Data on MnFeSiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740217.

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                    The Materials Project. Materials Data on MnFeSiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740217

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                    The Materials Project. 2020.  
"Materials Data on MnFeSiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740217.  https://www.osti.gov/servlets/purl/1740217. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740217,

  title        = {Materials Data on MnFeSiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeMn(SiO4) is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent FeO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with two equivalent MnO6 octahedra, edges with two equivalent FeO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–67°. There are a spread of Mn–O bond distances ranging from 2.19–2.28 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent MnO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Fe–O bond distances ranging from 2.13–2.34 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent FeO6 octahedra, an edgeedge with one FeO6 octahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mn2+, two equivalent Fe2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mn2+, one Fe2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+, one Fe2+, and one Si4+ atom.},

  doi          = {10.17188/1740217},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740217

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