Materials Data on Cd(NO4)2 by Materials Project

doi:10.17188/1753827

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

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Abstract

Cd(NO3)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two Cd(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Cd(NO3)2 sheet, Cd is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.51 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Cd and one N atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a water-like geometry to one Cd and onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1182373

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; Cd(NO4)2; Cd-N-O

OSTI Identifier:: 1753827

DOI:: https://doi.org/10.17188/1753827

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                    The Materials Project. Materials Data on Cd(NO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753827.

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                    The Materials Project. Materials Data on Cd(NO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753827

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                    The Materials Project. 2020.  
"Materials Data on Cd(NO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753827.  https://www.osti.gov/servlets/purl/1753827. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1753827,

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

  author       = {The Materials Project},

  abstractNote = {Cd(NO3)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two Cd(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Cd(NO3)2 sheet, Cd is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.51 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Cd and one N atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a water-like geometry to one Cd and one N atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Cd and one N atom. In the sixth O site, O is bonded in a distorted L-shaped geometry to one Cd and one N atom.},

  doi          = {10.17188/1753827},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1753827

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