Materials Data on CdNO5 by Materials Project

doi:10.17188/1677888

Title: Materials Data on CdNO5 by Materials Project

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Abstract

CdNO5 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of two CdNO5 sheets oriented in the (0, 0, 1) direction. Cd is bonded to six O atoms to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.23 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Cd and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1213955

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; CdNO5; Cd-N-O

OSTI Identifier:: 1677888

DOI:: https://doi.org/10.17188/1677888

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                    The Materials Project. Materials Data on CdNO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677888.

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                    The Materials Project. Materials Data on CdNO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677888

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                    The Materials Project. 2020.  
"Materials Data on CdNO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677888.  https://www.osti.gov/servlets/purl/1677888. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1677888,

  title        = {Materials Data on CdNO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdNO5 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of two CdNO5 sheets oriented in the (0, 0, 1) direction. Cd is bonded to six O atoms to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.23 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Cd and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom.},

  doi          = {10.17188/1677888},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1677888

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