data_global
_chemical_name_mineral 'Marialite'
loop_
_publ_author_name
'Sokolova E V'
'Kabalov Y K'
'Sherriff B L'
'Teertstra D K'
'Jenkins D M'
'Kunath-Fandrei G'
'Goetz S'
'Jager C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 34 
_journal_year 1996
_journal_page_first 1039
_journal_page_last 1050
_publ_section_title
;
 Marialite: Rietveld structure-refinement and Si MAS
 and Al satellite transition NMR spectroscopy
 Sample: PAM-3
;
_database_code_amcsd 0005513
_chemical_formula_sum 'Na3.52 K.16 Ca.28 (Si8.76 Al3.24) O24.04 (Cl.96 H.04)'
_cell_length_a 12.0546
_cell_length_b 12.0546
_cell_length_c 7.5684
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1099.790
_exptl_crystal_density_diffrn      2.568
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
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
NaM   0.37290   0.29600   0.50000   0.88000   0.04433
KM   0.37290   0.29600   0.50000   0.04000   0.04433
CaM   0.37290   0.29600   0.50000   0.07000   0.04433
SiT1   0.33720   0.41170   0.00000   0.73000   0.01140
AlT1   0.33720   0.41170   0.00000   0.27000   0.01140
SiT2   0.66110   0.91470   0.79330   0.73000   0.00937
AlT2   0.66110   0.91470   0.79330   0.27000   0.00937
O1   0.45400   0.35500   0.00000   1.00000   0.01393
O2   0.69200   0.88100   0.00000   1.00000   0.01140
O3   0.35040   0.95000   0.78600   1.00000   0.02026
O4   0.26840   0.37260   0.82500   1.00000   0.01900
Cl   0.50000   0.50000   0.50000   0.96000   0.06206
O-H   0.50000   0.50000   0.50000   0.04000   0.06206