Materials Data on CsNdO2 by Materials Project

doi:10.17188/1267611

Title: Materials Data on CsNdO2 by Materials Project

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Abstract

CsNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.13 Å. Nd3+ is bonded to six equivalent O2- atoms to form edge-sharing NdO6 octahedra. All Nd–O bond lengths are 2.44 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

Publication Date:: 2020-05-03

Other Number(s):: mp-553308

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; Cs-Nd-O; CsNdO2; crystal structure

OSTI Identifier:: 1267611

DOI:: https://doi.org/10.17188/1267611

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                    Materials Data on CsNdO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267611.

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                    Materials Data on CsNdO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267611

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                    2020.  
"Materials Data on CsNdO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267611.  https://www.osti.gov/servlets/purl/1267611. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1267611,

  title        = {Materials Data on CsNdO2 by Materials Project},

  
  abstractNote = {CsNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.13 Å. Nd3+ is bonded to six equivalent O2- atoms to form edge-sharing NdO6 octahedra. All Nd–O bond lengths are 2.44 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.},

  doi          = {10.17188/1267611},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1267611

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