Literature DB >> 15640563

Doubled-cubic Ca2NF.

Danielle R Jack1, Matthias Zeller, Timothy R Wagner.   

Abstract

Crystals of dicalcium nitride fluoride, Ca2NF, grown from the melt have been characterized by X-ray diffraction and were found to have a cubic (Fd-3m) structure. Owing to ordering of N and F atoms along all three cell axes, the cell edge is doubled relative to the rocksalt-type structure reported previously. Residual electron density at an interstitial tetrahedral site was refined as a Frenkel defect of F atoms, giving a final composition of Ca2N(F0.913)oct(F0.087)tet.

Entities:  

Year:  2004        PMID: 15640563     DOI: 10.1107/S0108270104026666

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  First-Principles Study of Three-Dimensional Electrides Containing One-Dimensional [Ba3N]3+ Chains.

Authors:  Xiangyu Zhang; Yunlei Chen; Yongfang Sun; Tian-Nan Ye; Xiao-Dong Wen
Journal:  ACS Omega       Date:  2022-04-06
  1 in total

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