Materials Data on Mn3Cu(Te2O5)4 by Materials Project

doi:10.17188/1730678

Title: Materials Data on Mn3Cu(Te2O5)4 by Materials Project

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Abstract

Mn3Cu(Te2O5)4 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.26–2.47 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.14 Å) and two longer (2.48 Å) Mn–O bond lengths. Cu2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.00 Å) and two longer (2.57 Å) Cu–O bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.26 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1221994

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; Mn3Cu(Te2O5)4; Cu-Mn-O-Te

OSTI Identifier:: 1730678

DOI:: https://doi.org/10.17188/1730678

Citation Formats


                    The Materials Project. Materials Data on Mn3Cu(Te2O5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730678.

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                    The Materials Project. Materials Data on Mn3Cu(Te2O5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730678

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                    The Materials Project. 2020.  
"Materials Data on Mn3Cu(Te2O5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730678.  https://www.osti.gov/servlets/purl/1730678. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1730678,

  title        = {Materials Data on Mn3Cu(Te2O5)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Cu(Te2O5)4 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.26–2.47 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.14 Å) and two longer (2.48 Å) Mn–O bond lengths. Cu2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.00 Å) and two longer (2.57 Å) Cu–O bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.26 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Mn2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Mn2+ and two equivalent Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+, one Cu2+, and one Te4+ atom.},

  doi          = {10.17188/1730678},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1730678

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