Materials Data on Nb2Cd2O7 by Materials Project

doi:10.17188/1280790

Title: Materials Data on Nb2Cd2O7 by Materials Project

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Abstract

Cd2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.13 Å) and two longer (2.22 Å) Nb–O bond lengths. Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nb5+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing ONb2Cd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nb5+ atoms to form a mixture of edge and corner-sharing ONb4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-647999

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; Nb2Cd2O7; Cd-Nb-O

OSTI Identifier:: 1280790

DOI:: https://doi.org/10.17188/1280790

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                    The Materials Project. Materials Data on Nb2Cd2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280790.

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                    The Materials Project. Materials Data on Nb2Cd2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280790

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                    The Materials Project. 2020.  
"Materials Data on Nb2Cd2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280790.  https://www.osti.gov/servlets/purl/1280790. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1280790,

  title        = {Materials Data on Nb2Cd2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.13 Å) and two longer (2.22 Å) Nb–O bond lengths. Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nb5+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing ONb2Cd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nb5+ atoms to form a mixture of edge and corner-sharing ONb4 tetrahedra.},

  doi          = {10.17188/1280790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280790

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