data_global
_chemical_name_mineral 'Mordenite'
loop_
_publ_author_name
'Passaglia E'
'Artioli G'
'Gualtieri A'
'Carnevali R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 429
_journal_page_last 438
_publ_section_title
;
 Diagenetic mordenite from Ponza, Italy
;
_database_code_amcsd 0006588
_chemical_compound_source 'Ponza, Italy'
_chemical_formula_sum 'K.66 Na.56 Ca.4 (Si9.96 Al2.04) O30.94 H13.88'
_cell_length_a 18.109
_cell_length_b 20.485
_cell_length_c 7.523
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2790.753
_exptl_crystal_density_diffrn      2.138
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
KA   0.00000   0.50800   0.07700   0.33000   0.03000
NaA   0.00000   0.50800   0.07700   0.28000   0.03000
CaF   0.00000   0.47900   0.25000   0.40000   0.02300
SiT1   0.19000   0.42800   0.54300   0.83000   0.04900
AlT1   0.19000   0.42800   0.54300   0.17000   0.04900
SiT2   0.19900   0.18700   0.54200   0.83000   0.03000
AlT2   0.19900   0.18700   0.54200   0.17000   0.03000
SiT3   0.07900   0.38700   0.25000   0.83000   0.02600
AlT3   0.07900   0.38700   0.25000   0.17000   0.02600
SiT4   0.09000   0.23200   0.25000   0.83000   0.05000
AlT4   0.09000   0.23200   0.25000   0.17000   0.05000
O1   0.12800   0.39000   0.42800   1.00000   0.03100
O2   0.13000   0.19200   0.40700   1.00000   0.01000
O3   0.25800   0.37700   0.52400   1.00000   0.02900
O4   0.10100   0.31100   0.25000   1.00000   0.03800
O5   0.18600   0.20100   0.75000   1.00000   0.03400
O6   0.16500   0.42100   0.75000   1.00000   0.07900
O7   0.22300   0.50000   0.50000   1.00000   0.01700
O8   0.25000   0.25000   0.50000   1.00000   0.04500
O9   0.00000   0.42300   0.25000   1.00000   0.02000
O10   0.00000   0.23500   0.25000   1.00000   0.04500
Wat1   0.00000   0.02100   0.25000   0.46000   0.04500
Wat2   0.30000   0.25300   0.03200   0.55000   0.04500
Wat3   0.50000   0.44700   0.00000   0.63000   0.04500
Wat4   0.47800   0.08200   0.25000   0.53000   0.04500
Wat5   0.40800   0.53100   0.25000   0.98000   0.04500