Materials Data on K2PdN2(ClO2)2 by Materials Project

doi:10.17188/1683862

Title: Materials Data on K2PdN2(ClO2)2 by Materials Project

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Abstract

K2PdN2(O2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.92–3.09 Å. There are two shorter (3.17 Å) and two longer (3.26 Å) K–Cl bond lengths. Pd2+ is bonded in a linear geometry to two equivalent Cl1- atoms. Both Pd–Cl bond lengths are 2.33 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one N3+ atom. Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Pd2+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1180963

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; K2PdN2(ClO2)2; Cl-K-N-O-Pd

OSTI Identifier:: 1683862

DOI:: https://doi.org/10.17188/1683862

Citation Formats


                    The Materials Project. Materials Data on K2PdN2(ClO2)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1683862.

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                    The Materials Project. Materials Data on K2PdN2(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683862

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                    The Materials Project. 2019.  
"Materials Data on K2PdN2(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683862.  https://www.osti.gov/servlets/purl/1683862. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1683862,

  title        = {Materials Data on K2PdN2(ClO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2PdN2(O2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.92–3.09 Å. There are two shorter (3.17 Å) and two longer (3.26 Å) K–Cl bond lengths. Pd2+ is bonded in a linear geometry to two equivalent Cl1- atoms. Both Pd–Cl bond lengths are 2.33 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one N3+ atom. Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Pd2+ atom.},

  doi          = {10.17188/1683862},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1683862

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