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#$Date: 2015-07-13 22:19:14 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150920 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528533.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1528533
loop_
_publ_author_name
'Golubev, A.M.'
'Sobolev, B.P.'
'Molchanov, V.N.'
'Otroshchenko, L.P.'
'Fykin, L.E.'
_publ_section_title
;
 Displacements in the cationic motif of nonstoichiometric fluorite phases
 Ba(1-x) R(x) F(2+x) as a result of the formation of {Ba8 [R6 F(68-69)]}
 clusters: II. The Ba(1-x) R(x) F(2+x) (R = Er, Yb, Lu; 0.1 < x < 0.3)
 crystals
;
_journal_name_full               Kristallografiya
_journal_page_first              456
_journal_page_last               463
_journal_volume                  54
_journal_year                    2009
_chemical_formula_sum            'Ba0.818 F2.182 Lu0.182'
_chemical_name_systematic        'Ba0.818 Lu0.182 F2.182'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.0516
_cell_length_b                   6.0516
_cell_length_c                   6.0516
_cell_volume                     221.621
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Golubev_KRISAJ_2009_1742.cif
_cod_data_source_block           Ba0.818F2.182Lu0.182
_cod_original_cell_volume        221.6209
_cod_database_code               1528533
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba1 Ba+2 0 0 0 0.1445 0.0
Lu1 Lu+3 0 0 0 0.0455 0.0
Ba2 Ba+2 0.0331 0.0331 0.0331 0.0075 0.0
F1 F-1 0.25 0.25 0.25 0.23125 0.0
F2 F-1 0.5 0.144 0.144 0.0054166 0.0
F3 F-1 0.5 0.5 0.5 0.0175 0.0