Materials Data on CeC8N4(Cl2O3)2 by Materials Project

doi:10.17188/1730689

Title: Materials Data on CeC8N4(Cl2O3)2 by Materials Project

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Abstract

CeN2(O3Cl2)2(C4N)2 is Fluorite structured and crystallizes in the tetragonal I-4m2 space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two CeN2(O3Cl2)2 clusters. In each CeN2(O3Cl2)2 cluster, Ce4+ is bonded in a distorted hexagonal bipyramidal geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ce–O bond lengths are 2.57 Å. All Ce–Cl bond lengths are 2.64 Å. N3- is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.20 Å) and two longer (1.31 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ce4+ and one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Ce4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1191020

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; CeC8N4(Cl2O3)2; C-Ce-Cl-N-O

OSTI Identifier:: 1730689

DOI:: https://doi.org/10.17188/1730689

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                    The Materials Project. Materials Data on CeC8N4(Cl2O3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730689.

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                    The Materials Project. Materials Data on CeC8N4(Cl2O3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730689

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                    The Materials Project. 2020.  
"Materials Data on CeC8N4(Cl2O3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730689.  https://www.osti.gov/servlets/purl/1730689. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1730689,

  title        = {Materials Data on CeC8N4(Cl2O3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeN2(O3Cl2)2(C4N)2 is Fluorite structured and crystallizes in the tetragonal I-4m2 space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two CeN2(O3Cl2)2 clusters. In each CeN2(O3Cl2)2 cluster, Ce4+ is bonded in a distorted hexagonal bipyramidal geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ce–O bond lengths are 2.57 Å. All Ce–Cl bond lengths are 2.64 Å. N3- is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.20 Å) and two longer (1.31 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ce4+ and one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Ce4+ atom.},

  doi          = {10.17188/1730689},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1730689

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