Materials Data on NaVCdO4 by Materials Project

doi:10.17188/1194461

Title: Materials Data on NaVCdO4 by Materials Project

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Abstract

NaCdVO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.49 Å) Na–O bond lengths. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are two shorter (2.28 Å) and four longer (2.38 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one V5+, and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one V5+, and one Cd2+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-19449

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; NaVCdO4; Cd-Na-O-V

OSTI Identifier:: 1194461

DOI:: https://doi.org/10.17188/1194461

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                    The Materials Project. Materials Data on NaVCdO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194461.

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                    The Materials Project. Materials Data on NaVCdO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194461

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                    The Materials Project. 2020.  
"Materials Data on NaVCdO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194461.  https://www.osti.gov/servlets/purl/1194461. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1194461,

  title        = {Materials Data on NaVCdO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCdVO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.49 Å) Na–O bond lengths. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are two shorter (2.28 Å) and four longer (2.38 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one V5+, and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one V5+, and one Cd2+ atom.},

  doi          = {10.17188/1194461},

  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/10.17188/1194461

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