Materials Data on KCd(NO2)3 by Materials Project

doi:10.17188/1187523

Title: Materials Data on KCd(NO2)3 by Materials Project

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Abstract

KCd(NO2)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.01–3.43 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.65 Å) Cd–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Cd2+, and one N3+ atom.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-11017

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; Cd-K-N-O; KCd(NO2)3; crystal structure

OSTI Identifier:: 1187523

DOI:: https://doi.org/10.17188/1187523

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                    Materials Data on KCd(NO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187523.

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                    Materials Data on KCd(NO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187523

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                    2020.  
"Materials Data on KCd(NO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187523.  https://www.osti.gov/servlets/purl/1187523. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1187523,

  title        = {Materials Data on KCd(NO2)3 by Materials Project},

  
  abstractNote = {KCd(NO2)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.01–3.43 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.65 Å) Cd–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Cd2+, and one N3+ atom.},

  doi          = {10.17188/1187523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1187523

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