Materials Data on NaMn2O4 by Materials Project

doi:10.17188/1276787

Title: Materials Data on NaMn2O4 by Materials Project

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Abstract

NaMn2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.42 Å) and two longer (2.47 Å) Na–O bond lengths. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.98 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+ and three Mn+3.50+ atoms to form distorted ONaMn3 trigonal pyramids that share corners with four equivalent ONa2Mn3 square pyramids, corners with six equivalent ONaMn3 trigonal pyramids, edges with four equivalent ONa2Mn3 square pyramids, and an edgeedge with one ONaMn3 trigonal pyramid. In the second O2- site, O2- is bonded to two equivalent Na1+ and three Mn+3.50+ atoms to form distorted ONa2Mn3 square pyramids that share corners with five equivalent ONa2Mn3 square pyramids, corners with four equivalent ONaMn3 trigonal pyramids, edges with fourmore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1002571

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; NaMn2O4; Mn-Na-O

OSTI Identifier:: 1276787

DOI:: https://doi.org/10.17188/1276787

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                    The Materials Project. Materials Data on NaMn2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276787.

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                    The Materials Project. Materials Data on NaMn2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276787

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                    The Materials Project. 2020.  
"Materials Data on NaMn2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276787.  https://www.osti.gov/servlets/purl/1276787. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1276787,

  title        = {Materials Data on NaMn2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaMn2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.42 Å) and two longer (2.47 Å) Na–O bond lengths. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.98 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+ and three Mn+3.50+ atoms to form distorted ONaMn3 trigonal pyramids that share corners with four equivalent ONa2Mn3 square pyramids, corners with six equivalent ONaMn3 trigonal pyramids, edges with four equivalent ONa2Mn3 square pyramids, and an edgeedge with one ONaMn3 trigonal pyramid. In the second O2- site, O2- is bonded to two equivalent Na1+ and three Mn+3.50+ atoms to form distorted ONa2Mn3 square pyramids that share corners with five equivalent ONa2Mn3 square pyramids, corners with four equivalent ONaMn3 trigonal pyramids, edges with four equivalent ONa2Mn3 square pyramids, and edges with four equivalent ONaMn3 trigonal pyramids.},

  doi          = {10.17188/1276787},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276787

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Materials Data on NaMn2O4 by Materials Project

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NaMn2O4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.76 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.69 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging frommore »« less
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