Materials Data on Nd2(OF)3 by Materials Project

doi:10.17188/1679594

Title: Materials Data on Nd2(OF)3 by Materials Project

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Abstract

Nd2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Nd–O bond lengths are 2.45 Å. All Nd–F bond lengths are 2.54 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Nd–O bond lengths are 2.44 Å. All Nd–F bond lengths are 2.40 Å. O is bonded in a trigonal non-coplanar geometry to three Nd atoms. F is bonded in a trigonal non-coplanar geometry to three Nd atoms.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1220291

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; F-Nd-O; Nd2(OF)3; crystal structure

OSTI Identifier:: 1679594

DOI:: https://doi.org/10.17188/1679594

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                    Materials Data on Nd2(OF)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679594.

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                    Materials Data on Nd2(OF)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679594

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                    2020.  
"Materials Data on Nd2(OF)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679594.  https://www.osti.gov/servlets/purl/1679594. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1679594,

  title        = {Materials Data on Nd2(OF)3 by Materials Project},

  
  abstractNote = {Nd2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Nd–O bond lengths are 2.45 Å. All Nd–F bond lengths are 2.54 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Nd–O bond lengths are 2.44 Å. All Nd–F bond lengths are 2.40 Å. O is bonded in a trigonal non-coplanar geometry to three Nd atoms. F is bonded in a trigonal non-coplanar geometry to three Nd atoms.},

  doi          = {10.17188/1679594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1679594

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