Materials Data on Mn3ZnO10 by Materials Project

doi:10.17188/1677313

Title: Materials Data on Mn3ZnO10 by Materials Project

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Abstract

Mn3ZnO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mn6+ sites. In the first Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. In the second Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. In the third Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. Zn2+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.91–2.78 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the fourth O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1180467

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; Mn3ZnO10; Mn-O-Zn

OSTI Identifier:: 1677313

DOI:: https://doi.org/10.17188/1677313

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                    The Materials Project. Materials Data on Mn3ZnO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677313.

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                    The Materials Project. Materials Data on Mn3ZnO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677313

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                    The Materials Project. 2020.  
"Materials Data on Mn3ZnO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677313.  https://www.osti.gov/servlets/purl/1677313. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1677313,

  title        = {Materials Data on Mn3ZnO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3ZnO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mn6+ sites. In the first Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. In the second Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. In the third Mn6+ site, Mn6+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.97 Å. Zn2+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.91–2.78 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn6+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mn6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mn6+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Mn6+ and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.23 Å. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. The O–O bond length is 2.05 Å.},

  doi          = {10.17188/1677313},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1677313

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