Materials Data on K3Sb7(SO3)3 by Materials Project

doi:10.17188/1270752

Title: Materials Data on K3Sb7(SO3)3 by Materials Project

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Abstract

K3Sb7(SO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. K1+ is bonded to one S2- and six O2- atoms to form distorted corner-sharing KSO6 hexagonal pyramids. The K–S bond length is 3.22 Å. There are a spread of K–O bond distances ranging from 2.78–3.02 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.05 Å. In the third Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.45 Å. S2- is bonded in a 2-coordinate geometry to one K1+ and one Sb3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distortedmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-559272

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; K3Sb7(SO3)3; K-O-S-Sb

OSTI Identifier:: 1270752

DOI:: https://doi.org/10.17188/1270752

Citation Formats


                    The Materials Project. Materials Data on K3Sb7(SO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270752.

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                    The Materials Project. Materials Data on K3Sb7(SO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270752

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                    The Materials Project. 2020.  
"Materials Data on K3Sb7(SO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270752.  https://www.osti.gov/servlets/purl/1270752. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1270752,

  title        = {Materials Data on K3Sb7(SO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Sb7(SO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. K1+ is bonded to one S2- and six O2- atoms to form distorted corner-sharing KSO6 hexagonal pyramids. The K–S bond length is 3.22 Å. There are a spread of K–O bond distances ranging from 2.78–3.02 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.05 Å. In the third Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.45 Å. S2- is bonded in a 2-coordinate geometry to one K1+ and one Sb3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OK2Sb2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OK2Sb2 tetrahedra.},

  doi          = {10.17188/1270752},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270752

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