Materials Data on CaNbO2 by Materials Project

doi:10.17188/1745236

Title: Materials Data on CaNbO2 by Materials Project

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Abstract

CaNbO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form edge-sharing CaO6 octahedra. There are four shorter (2.36 Å) and two longer (2.38 Å) Ca–O bond lengths. Nb2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.14 Å) and two longer (2.16 Å) Nb–O bond lengths. O2- is bonded to three equivalent Ca2+ and two equivalent Nb2+ atoms to form a mixture of distorted corner and edge-sharing OCa3Nb2 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1213992

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; CaNbO2; Ca-Nb-O

OSTI Identifier:: 1745236

DOI:: https://doi.org/10.17188/1745236

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                    The Materials Project. Materials Data on CaNbO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745236.

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                    The Materials Project. Materials Data on CaNbO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745236

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                    The Materials Project. 2020.  
"Materials Data on CaNbO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745236.  https://www.osti.gov/servlets/purl/1745236. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1745236,

  title        = {Materials Data on CaNbO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaNbO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form edge-sharing CaO6 octahedra. There are four shorter (2.36 Å) and two longer (2.38 Å) Ca–O bond lengths. Nb2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.14 Å) and two longer (2.16 Å) Nb–O bond lengths. O2- is bonded to three equivalent Ca2+ and two equivalent Nb2+ atoms to form a mixture of distorted corner and edge-sharing OCa3Nb2 trigonal bipyramids.},

  doi          = {10.17188/1745236},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745236

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