Materials Data on K2SrV4O12 by Materials Project

doi:10.17188/1193859

Title: Materials Data on K2SrV4O12 by Materials Project

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Abstract

K2Sr(VO3)4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with eight equivalent VO4 tetrahedra. There are four shorter (2.76 Å) and two longer (2.93 Å) K–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.64 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent KO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–72°. There is two shorter (1.68 Å) and two longer (1.83 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sr2+, and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent V5+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-19075

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; K2SrV4O12; K-O-Sr-V

OSTI Identifier:: 1193859

DOI:: https://doi.org/10.17188/1193859

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                    The Materials Project. Materials Data on K2SrV4O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193859.

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                    The Materials Project. Materials Data on K2SrV4O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193859

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                    The Materials Project. 2020.  
"Materials Data on K2SrV4O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193859.  https://www.osti.gov/servlets/purl/1193859. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193859,

  title        = {Materials Data on K2SrV4O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Sr(VO3)4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. K1+ is bonded to six O2- atoms to form KO6 octahedra that share corners with eight equivalent VO4 tetrahedra. There are four shorter (2.76 Å) and two longer (2.93 Å) K–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.64 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent KO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–72°. There is two shorter (1.68 Å) and two longer (1.83 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sr2+, and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent V5+ atoms.},

  doi          = {10.17188/1193859},

  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/10.17188/1193859

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