Materials Data on Na3Co2SbO6 by Materials Project

doi:10.17188/1272278

Title: Materials Data on Na3Co2SbO6 by Materials Project

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Abstract

Na3Co2SbO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent CoO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–13°. There are a spread of Na–O bond distances ranging from 2.37–2.44 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent CoO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–13°. There are a spread of Na–O bond distances ranging from 2.36–2.50 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent CoO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt anglesmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-561940

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; Na3Co2SbO6; Co-Na-O-Sb

OSTI Identifier:: 1272278

DOI:: https://doi.org/10.17188/1272278

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                    The Materials Project. Materials Data on Na3Co2SbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272278.

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                    The Materials Project. Materials Data on Na3Co2SbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272278

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                    The Materials Project. 2020.  
"Materials Data on Na3Co2SbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272278.  https://www.osti.gov/servlets/purl/1272278. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1272278,

  title        = {Materials Data on Na3Co2SbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Co2SbO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent CoO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–13°. There are a spread of Na–O bond distances ranging from 2.37–2.44 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent CoO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–13°. There are a spread of Na–O bond distances ranging from 2.36–2.50 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent CoO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Co–O bond distances ranging from 2.11–2.23 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are two shorter (2.01 Å) and four longer (2.05 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+, two equivalent Co2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Co2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the second O2- site, O2- is bonded to three Na1+, two equivalent Co2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Co2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the third O2- site, O2- is bonded to three Na1+, two equivalent Co2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Co2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–10°.},

  doi          = {10.17188/1272278},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272278

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