Materials Data on VCdCoO5 by Materials Project

doi:10.17188/1717263

Title: Materials Data on VCdCoO5 by Materials Project

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Abstract

VCoCdO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.11 Å. Cd2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.18–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Co3+, and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Co3+ and one Cd2+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one V5+ and one Cd2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1194927

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; VCdCoO5; Cd-Co-O-V

OSTI Identifier:: 1717263

DOI:: https://doi.org/10.17188/1717263

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                    The Materials Project. Materials Data on VCdCoO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717263.

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                    The Materials Project. Materials Data on VCdCoO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717263

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                    The Materials Project. 2020.  
"Materials Data on VCdCoO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717263.  https://www.osti.gov/servlets/purl/1717263. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1717263,

  title        = {Materials Data on VCdCoO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VCoCdO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.11 Å. Cd2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.18–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Co3+, and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Co3+ and one Cd2+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one V5+ and one Cd2+ atom.},

  doi          = {10.17188/1717263},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1717263

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