Materials Data on Co2NO6 by Materials Project

doi:10.17188/1748577

Title: Materials Data on Co2NO6 by Materials Project

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Abstract

Co2NO6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Co2NO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.81–2.20 Å. In the second Co+3.50+ site, Co+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.89–2.31 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.21 Å) and one longer (1.46 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three Co+3.50+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+3.50+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1213868

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; Co2NO6; Co-N-O

OSTI Identifier:: 1748577

DOI:: https://doi.org/10.17188/1748577

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                    The Materials Project. Materials Data on Co2NO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748577.

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                    The Materials Project. Materials Data on Co2NO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748577

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                    The Materials Project. 2020.  
"Materials Data on Co2NO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748577.  https://www.osti.gov/servlets/purl/1748577. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1748577,

  title        = {Materials Data on Co2NO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co2NO6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Co2NO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.81–2.20 Å. In the second Co+3.50+ site, Co+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.89–2.31 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.21 Å) and one longer (1.46 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three Co+3.50+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+3.50+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+3.50+ atoms. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co+3.50+ and one N5+ atom.},

  doi          = {10.17188/1748577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1748577

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