Materials Data on Na2Sb4O7 by Materials Project

doi:10.17188/1205308

Title: Materials Data on Na2Sb4O7 by Materials Project

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Abstract

Na2Sb4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.55 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.21 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.38 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Na1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distortedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-30972

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; Na2Sb4O7; Na-O-Sb

OSTI Identifier:: 1205308

DOI:: https://doi.org/10.17188/1205308

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                    The Materials Project. Materials Data on Na2Sb4O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205308.

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                    The Materials Project. Materials Data on Na2Sb4O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205308

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                    The Materials Project. 2020.  
"Materials Data on Na2Sb4O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205308.  https://www.osti.gov/servlets/purl/1205308. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1205308,

  title        = {Materials Data on Na2Sb4O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Sb4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.55 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.21 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.38 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Na1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra.},

  doi          = {10.17188/1205308},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205308

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