Materials Data on Mn4Bi3NO15 by Materials Project

doi:10.17188/1272507

Title: Materials Data on Mn4Bi3NO15 by Materials Project

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Abstract

Bi3Mn4O12(NO3) is beta Vanadium nitride-derived structured and crystallizes in the trigonal P3 space group. The structure is two-dimensional and consists of one nitric acid molecule and one Mn4(BiO4)3 sheet oriented in the (0, 0, 1) direction. In the Mn4(BiO4)3 sheet, there are four inequivalent Mn6+ sites. In the first Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is three shorter (1.90 Å) and three longer (1.96 Å) Mn–O bond length. In the second Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is three shorter (1.89 Å) and three longer (1.96 Å) Mn–O bond length. In the third Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is three shorter (1.90 Å) and three longer (1.96 Å) Mn–Omore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-565428

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; Mn4Bi3NO15; Bi-Mn-N-O

OSTI Identifier:: 1272507

DOI:: https://doi.org/10.17188/1272507

Citation Formats


                    The Materials Project. Materials Data on Mn4Bi3NO15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272507.

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                    The Materials Project. Materials Data on Mn4Bi3NO15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272507

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                    The Materials Project. 2020.  
"Materials Data on Mn4Bi3NO15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272507.  https://www.osti.gov/servlets/purl/1272507. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1272507,

  title        = {Materials Data on Mn4Bi3NO15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi3Mn4O12(NO3) is beta Vanadium nitride-derived structured and crystallizes in the trigonal P3 space group. The structure is two-dimensional and consists of one nitric acid molecule and one Mn4(BiO4)3 sheet oriented in the (0, 0, 1) direction. In the Mn4(BiO4)3 sheet, there are four inequivalent Mn6+ sites. In the first Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is three shorter (1.90 Å) and three longer (1.96 Å) Mn–O bond length. In the second Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is three shorter (1.89 Å) and three longer (1.96 Å) Mn–O bond length. In the third Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is three shorter (1.90 Å) and three longer (1.96 Å) Mn–O bond length. In the fourth Mn6+ site, Mn6+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BiO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There is three shorter (1.90 Å) and three longer (1.96 Å) Mn–O bond length. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are three shorter (2.37 Å) and three longer (2.38 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.16 Å. In the third Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Bi3+ atom.},

  doi          = {10.17188/1272507},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272507

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