data_global
_chemical_name_mineral 'Nosean'
loop_
_publ_author_name
'Hassan I'
'Grundy H D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 27 
_journal_year 1989
_journal_page_first 165
_journal_page_last 172
_publ_section_title
;
 The structure of nosean, ideally Na8(Al6Si6O24)SO4.H2O
 Note: O2 z-coordinate has been corrected according to the ICSD
;
_database_code_amcsd 0005223
_chemical_formula_sum 'Al3 Si3 O14.44 Na4.04 S.49 H.96'
_cell_length_a 9.084
_cell_length_b 9.084
_cell_length_c 9.084
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 749.603
_exptl_crystal_density_diffrn      2.241
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al   0.25000   0.00000   0.50000   1.00000 ?
Si   0.25000   0.50000   0.00000   1.00000 ?
O1   0.13700   0.14600   0.54400   0.50000   0.03900
O2   0.15300   0.16000   0.47500   0.50000   0.03500
Na1   0.30300   0.30300   0.30300   0.21000   0.02100
Na2   0.67400   0.67400   0.67400   0.34000   0.04600
Na3   0.73300   0.73300   0.73300   0.46000   0.02900
Wat3   0.47000   0.47000   0.47000   0.12000   0.02400
S   0.00000   0.00000   0.00000   0.49000   0.16100
O4   0.40500   0.40500   0.40500   0.49000   0.13100
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al 0.03900 0.03900 0.03900 0.00000 0.00000 0.00000
Si 0.02000 0.02000 0.02000 0.03200 0.03200 0.03200