#------------------------------------------------------------------------------
#$Date: 2015-10-14 01:38:20 +0300 (Wed, 14 Oct 2015) $
#$Revision: 167878 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539114.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_1539114
loop_
_publ_author_name
'Sobolev, B.P.'
'Golubev, A.M.'
'Otroshchenko, L.P.'
'Herrero, P.'
'Ryzhova, E.A.'
'Zakalyukin, R.M.'
'Molchanov, V.N.'
_publ_section_title
;
 Ba1-x Rx F2+x phases (R = Gd-Lu) with distorted fluotite-type structures
 - products of crystallization of incongruent melts in the Ba F2 - R F3
 systems (R = Gd-Lu). III. Defect Ba0.75 Lu0.25 F2.25 structure. A new
 (Lu8 (Ba6 F71)) supercluster of defects
;
_journal_name_full               Kristallografiya
_journal_page_first              1012
_journal_page_last               1020
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'Ba0.75 F2.25 Lu0.25'
_chemical_name_systematic        '(Ba0.75 Lu0.25) F2.25'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.987
_cell_length_b                   5.987
_cell_length_c                   5.987
_cell_volume                     214.599
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Sobolev_KRISAJ_2003_484.cif
_cod_data_source_block           Ba0.75F2.25Lu0.25
_cod_database_code               1539114
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
Lu2 Lu+3 0.0138 0.5 0.5 0.025 0.0
Ba1 Ba+2 0 0 0 0.15 0.0
F1 F-1 0.22 0.22 0.22 0.84 0.0
F3 F-1 0.26 0.26 0.26 0.16 0.0
F2 F-1 0.5 0.5 0.5 0.79 0.0
Lu1 Lu+3 0 0 0 0.85 0.0
Ba2 Ba+2 0.0138 0.5 0.5 0.475 0.0
