title: Doubled-cubic Ca2NF.
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.
authors.affiliation: Department of Chemistry, Youngstown State University, One University Plaza, Youngstown, OH 44555, USA.
authors.forename: Danielle R
authors.initials: DR
authors.lastname: Jack
authors.forename: Matthias
authors.initials: M
authors.lastname: Zeller
authors.forename: Timothy R
authors.initials: TR
authors.lastname: Wagner