Materials Data on Ca(NO4)2 by Materials Project

doi:10.17188/1746592

Title: Materials Data on Ca(NO4)2 by Materials Project

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Abstract

Ca(NO3)2O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two Ca(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Ca(NO3)2 sheet, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.61 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Ca and one N atom. In the second O site, O is bonded in an L-shaped geometry to one Ca and one N atom. In the third O site, O is bonded in a water-like geometry to one Ca and one N atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1182253

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca(NO4)2; Ca-N-O; crystal structure

OSTI Identifier:: 1746592

DOI:: https://doi.org/10.17188/1746592

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                    Materials Data on Ca(NO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746592.

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                    Materials Data on Ca(NO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746592

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                    2020.  
"Materials Data on Ca(NO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746592.  https://www.osti.gov/servlets/purl/1746592. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746592,

  title        = {Materials Data on Ca(NO4)2 by Materials Project},

  
  abstractNote = {Ca(NO3)2O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two Ca(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Ca(NO3)2 sheet, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.61 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Ca and one N atom. In the second O site, O is bonded in an L-shaped geometry to one Ca and one N atom. In the third O site, O is bonded in a water-like geometry to one Ca and one N atom.},

  doi          = {10.17188/1746592},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746592

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