Materials Data on Na2Sn4O9 by Materials Project

doi:10.17188/1292527

Title: Materials Data on Na2Sn4O9 by Materials Project

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Abstract

Na2Sn4O9 is Ilmenite-like structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with three equivalent SnO6 octahedra, corners with six equivalent SnO6 pentagonal pyramids, edges with three equivalent SnO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three shorter (2.32 Å) and three longer (2.39 Å) Na–O bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with three equivalent NaO6 octahedra, corners with three equivalent SnO6 octahedra, corners with three equivalent SnO6 pentagonal pyramids, edges with three equivalent NaO6 octahedra, and a faceface with one SnO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 51–52°. There are three shorter (2.04 Å) and three longer (2.23 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six equivalent O2- atoms to form distorted SnO6 pentagonal pyramids that share corners with three equivalent SnO6 octahedra, corners with six equivalent NaO6 octahedra, edges with three equivalent SnO6 pentagonal pyramids, and a faceface withmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-762258

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; Na2Sn4O9; Na-O-Sn

OSTI Identifier:: 1292527

DOI:: https://doi.org/10.17188/1292527

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                    The Materials Project. Materials Data on Na2Sn4O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1292527.

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                    The Materials Project. Materials Data on Na2Sn4O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1292527

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                    The Materials Project. 2020.  
"Materials Data on Na2Sn4O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1292527.  https://www.osti.gov/servlets/purl/1292527. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1292527,

  title        = {Materials Data on Na2Sn4O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Sn4O9 is Ilmenite-like structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with three equivalent SnO6 octahedra, corners with six equivalent SnO6 pentagonal pyramids, edges with three equivalent SnO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three shorter (2.32 Å) and three longer (2.39 Å) Na–O bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with three equivalent NaO6 octahedra, corners with three equivalent SnO6 octahedra, corners with three equivalent SnO6 pentagonal pyramids, edges with three equivalent NaO6 octahedra, and a faceface with one SnO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 51–52°. There are three shorter (2.04 Å) and three longer (2.23 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six equivalent O2- atoms to form distorted SnO6 pentagonal pyramids that share corners with three equivalent SnO6 octahedra, corners with six equivalent NaO6 octahedra, edges with three equivalent SnO6 pentagonal pyramids, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–67°. There are three shorter (2.07 Å) and three longer (2.18 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Na1+ and three Sn4+ atoms.},

  doi          = {10.17188/1292527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1292527

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