 
data_pollucite_m3
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'H1.27 Al1.95 Cs1.34 Na0.38 O12.65 Si4.05'
_chemical_formula_weight          262.66
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'O'  'O'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cs'  'Cs'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na'  'Na'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al'  'Al'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 'x, -y, -z+1/2'
 '-x+1/2, -y, z+1/2'
 '-x+1/2, y, -z'
 '-y+1/4, x+3/4, z+1/4'
 'y+1/4, x+3/4, -z+3/4'
 'y+1/4, -x+1/4, z+3/4'
 '-y+1/4, -x+1/4, -z+1/4'
 'y, z, x'
 '-y+1/2, -z, x+1/2'
 'y, -z, -x+1/2'
 '-y+1/2, z, -x'
 '-z+1/4, y+3/4, x+1/4'
 '-z+1/4, -y+1/4, -x+1/4'
 'z+1/4, -y+1/4, x+3/4'
 'z+1/4, y+3/4, -x+3/4'
 'z, x, y'
 '-z, x+1/2, -y+1/2'
 '-z, -x+1/2, y'
 'z, -x, -y+1/2'
 '-x+1/4, -z+1/4, -y+1/4'
 '-x+1/4, z+3/4, y+1/4'
 'x+3/4, -z+3/4, y+1/4'
 'x+1/4, z+3/4, -y+3/4'
 'x+1/2, y+1/2, z+1/2'
 'x+1/2, -y+1/2, -z+1'
 '-x+1, -y+1/2, z+1'
 '-x+1, y+1/2, -z+1/2'
 '-y+3/4, x+5/4, z+3/4'
 'y+3/4, x+5/4, -z+5/4'
 'y+3/4, -x+3/4, z+5/4'
 '-y+3/4, -x+3/4, -z+3/4'
 'y+1/2, z+1/2, x+1/2'
 '-y+1, -z+1/2, x+1'
 'y+1/2, -z+1/2, -x+1'
 '-y+1, z+1/2, -x+1/2'
 '-z+3/4, y+5/4, x+3/4'
 '-z+3/4, -y+3/4, -x+3/4'
 'z+3/4, -y+3/4, x+5/4'
 'z+3/4, y+5/4, -x+5/4'
 'z+1/2, x+1/2, y+1/2'
 '-z+1/2, x+1, -y+1'
 '-z+1/2, -x+1, y+1/2'
 'z+1/2, -x+1/2, -y+1'
 '-x+3/4, -z+3/4, -y+3/4'
 '-x+3/4, z+5/4, y+3/4'
 'x+5/4, -z+5/4, y+3/4'
 'x+3/4, z+5/4, -y+5/4'
 '-x, -y, -z'
 '-x, y, z-1/2'
 'x-1/2, y, -z-1/2'
 'x-1/2, -y, z'
 'y-1/4, -x-3/4, -z-1/4'
 '-y-1/4, -x-3/4, z-3/4'
 '-y-1/4, x-1/4, -z-3/4'
 'y-1/4, x-1/4, z-1/4'
 '-y, -z, -x'
 'y-1/2, z, -x-1/2'
 '-y, z, x-1/2'
 'y-1/2, -z, x'
 'z-1/4, -y-3/4, -x-1/4'
 'z-1/4, y-1/4, x-1/4'
 '-z-1/4, y-1/4, -x-3/4'
 '-z-1/4, -y-3/4, x-3/4'
 '-z, -x, -y'
 'z, -x-1/2, y-1/2'
 'z, x-1/2, -y'
 '-z, x, y-1/2'
 'x-1/4, z-1/4, y-1/4'
 'x-1/4, -z-3/4, -y-1/4'
 '-x-3/4, z-3/4, -y-1/4'
 '-x-1/4, -z-3/4, y-3/4'
 '-x+1/2, -y+1/2, -z+1/2'
 '-x+1/2, y+1/2, z'
 'x, y+1/2, -z'
 'x, -y+1/2, z+1/2'
 'y+1/4, -x-1/4, -z+1/4'
 '-y+1/4, -x-1/4, z-1/4'
 '-y+1/4, x+1/4, -z-1/4'
 'y+1/4, x+1/4, z+1/4'
 '-y+1/2, -z+1/2, -x+1/2'
 'y, z+1/2, -x'
 '-y+1/2, z+1/2, x'
 'y, -z+1/2, x+1/2'
 'z+1/4, -y-1/4, -x+1/4'
 'z+1/4, y+1/4, x+1/4'
 '-z+1/4, y+1/4, -x-1/4'
 '-z+1/4, -y-1/4, x-1/4'
 '-z+1/2, -x+1/2, -y+1/2'
 'z+1/2, -x, y'
 'z+1/2, x, -y+1/2'
 '-z+1/2, x+1/2, y'
 'x+1/4, z+1/4, y+1/4'
 'x+1/4, -z-1/4, -y+1/4'
 '-x-1/4, z-1/4, -y+1/4'
 '-x+1/4, -z-1/4, y-1/4'
 
_cell_length_a                    13.6914(6)
_cell_length_b                    13.6914(6)
_cell_length_c                    13.6914(6)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      2566.51(19)
_cell_formula_units_Z             16
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?
 

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
Cs Cs 0.1250 0.1250 0.1250 0.0461(5) Uani 0.678 6 d SPD . .
W O 0.1250 0.1250 0.1250 0.0461(5) Uani 0.322 6 d SP . .
Na Na 0.2500 0.1250 0.0000 0.042(7) Uani 0.132(10) 4 d SP . .
Si Si 0.1250 0.66222(6) 0.58778(6) 0.0128(3) Uani 0.66(4) 2 d SP . .
Al Al 0.1250 0.66222(5) 0.58778(6) 0.0128(3) Uani 0.34(4) 2 d SP . .
O O 0.10470(6) 0.13383(6) 0.71960(5) 0.0351(2) Uani 1 1 d . . .
H1 H 0.186(3) 0.106(5) 0.113(5) 0.13(3) Uiso 0.055(1) 1 d PD . .
H2 H 0.082(5) 0.058(4) 0.128(4) 0.11(3) Uiso 0.055(1) 1 d PD . .
 
 
