#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000499.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_4000499
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_formula_sum 'H2 La Na O9 S2'
_chemical_formula_weight          372.04
_symmetry_cell_setting            Trigonal
_symmetry_space_group_name_H-M    'P 31 2 1'
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-y, x-y, z+1/3'
 '-x+y, -x, z+2/3'
 'y, x, -z'
 'x-y, -y, -z+2/3'
 '-x, -x+y, -z+1/3'
_cell_length_a                    7.0538(5)
_cell_length_b                    7.0538(5)
_cell_length_c                    12.9625(14)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 120.00
_cell_volume                      558.55(8)
_cell_formula_units_Z             3
_cell_measurement_temperature     296(2)
_exptl_crystal_density_diffrn     3.318
_diffrn_ambient_temperature       296(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 0.56735(8) 0.56735(8) 1.0000 0.01057(14) Uani 1 2 d S . .
O1 O 0.4956(9) 0.3630(9) 0.8257(3) 0.0210(12) Uani 1 1 d . . .
O2 O 0.6109(7) 0.7406(7) 0.8184(3) 0.0180(11) Uani 1 1 d . . .
O3 O 0.4090(8) 0.1637(8) 1.0262(4) 0.0206(12) Uani 1 1 d . . .
O4 O 0.4975(9) 0.8821(9) 1.0137(3) 0.0195(12) Uani 1 1 d . . .
S1 S 0.5600(3) 0.5474(3) 0.75332(9) 0.0119(3) Uani 1 1 d . . .
O5 O 0.9302(14) 0.9302(14) 1.0000 0.058(4) Uani 1 2 d S . .
Na1 Na 1.0000 0.4700(6) 0.1667 0.0228(8) Uani 1 2 d S . .
H1 H 1.049(17) 0.93(2) 1.056(7) 0.08(4) Uiso 1 1 d . . .