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Nanostructured crystals of fluorite phases Sr{sub 1-x}R{sub x}F{sub 2+x} and their ordering: 7. A procedure for cluster modeling of Sr{sub 1-x}R{sub x}F{sub 2+x} Based on the Structure of an Ordered Phase (R = Lu)

Journal Article · · Crystallography Reports
;  [1]
  1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
Single crystals of the Sr{sub 1-x}Lu{sub x}F{sub 2+x} nonstoichiometric phase (x = 0.095 and 0.189), which crystallizes in the CaF{sub 2} structure type (space group Fm3-barm), are studied by X-ray diffraction. A procedure for the cluster modeling of Sr{sub 1-x}Lu{sub x}F{sub 2+x} based on the fine structural features of the Sr{sub 4}Lu{sub 3}F{sub 17} stoichiometric compound with a fluorite derivative structure (one of the ordered phases in the SrF{sub 2}-LuF{sub 3} system) is proposed. The description of the structure of the Sr{sub 1-x}Lu{sub x}F{sub 2+x} solid solutions is based on the octacubic configuration of the {l_brace}M{sub 14-n}R{sub n}F{sub 64+n}{r_brace} defect cluster. Structural data on the displacements of cations and anions in the ordered Sr{sub 4}Lu{sub 3}F{sub 17} phase (in relation to the undistorted fluorite phase) allow one to identify the distortions of the crystal lattice of the disordered (nonstoichiometric) Sr{sub 1-x}Lu{sub x}F{sub 2+x} phase.
OSTI ID:
22054198
Journal Information:
Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 1 Vol. 57; ISSN 1063-7745; ISSN CYSTE3
Country of Publication:
United States
Language:
English