#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000553.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_4000553
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_formula_sum 'Ba4 F2 La6 Na0 O24 Si6'
_chemical_formula_weight          1973.36
_symmetry_cell_setting            Hexagonal
_symmetry_space_group_name_H-M    'P 63/m'
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 '-x, -y, z+1/2'
 'y, -x+y, z+1/2'
 'x-y, x, z+1/2'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 'x, y, -z-1/2'
 '-y, x-y, -z-1/2'
 '-x+y, -x, -z-1/2'
_cell_length_a                    9.8000(10)
_cell_length_b                    9.8000(10)
_cell_length_c                    7.3193(8)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 120.00
_cell_volume                      608.77(11)
_cell_formula_units_Z             1
_cell_measurement_temperature     293(2)
_exptl_crystal_density_diffrn     5.383
_diffrn_ambient_temperature       293(2)
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
La1 La 0.23391(16) -0.01330(16) 0.2500 0.0123(5) Uani 0.75 2 d SP . .
Ba1 Ba 0.23391(16) -0.01330(16) 0.2500 0.0123(5) Uani 0.25 2 d SP . .
La2 La 0.6667 0.3333 0.0012(3) 0.0152(6) Uani 0.38 3 d SP . .
Ba2 Ba 0.6667 0.3333 0.0012(3) 0.0152(6) Uani 0.62 3 d SP . .
Si3 Si 0.4018(7) 0.3695(7) 0.2500 0.0111(14) Uani 1 2 d S . .
O1 O 0.593(2) 0.470(2) 0.2500 0.021(4) Uani 1 2 d S . .
O2 O 0.324(2) 0.484(2) 0.2500 0.026(4) Uani 1 2 d S . .
O3 O 0.3446(17) 0.2554(15) 0.0727(19) 0.027(3) Uani 1 1 d . . .
F F 0.0000 0.0000 0.2500 0.069(12) Uani 1 6 d S . .