Materials Data on KSb(MoO4)2 by Materials Project

doi:10.17188/1277951

Title: Materials Data on KSb(MoO4)2 by Materials Project

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Abstract

KSbMo2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.81 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–1.89 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.49 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.64 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bentmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-618807

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; KSb(MoO4)2; K-Mo-O-Sb

OSTI Identifier:: 1277951

DOI:: https://doi.org/10.17188/1277951

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                    The Materials Project. Materials Data on KSb(MoO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277951.

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                    The Materials Project. Materials Data on KSb(MoO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277951

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                    The Materials Project. 2020.  
"Materials Data on KSb(MoO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277951.  https://www.osti.gov/servlets/purl/1277951. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1277951,

  title        = {Materials Data on KSb(MoO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSbMo2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.81 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–1.89 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.49 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.64 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Mo6+, and one Sb3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mo6+ and one Sb3+ atom.},

  doi          = {10.17188/1277951},

  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/10.17188/1277951

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