data_global
_chemical_name_mineral 'Mordenite'
loop_
_publ_author_name
'Martucci A'
'Sacerdoti M'
'Cruciani G'
'Dalconi C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 485
_journal_page_last 493
_publ_section_title
;
 In situ time resolved synchrotron powder diffraction study of mordenite
 Sample: T = 25 C
;
_database_code_amcsd 0006995
_chemical_formula_sum 'Na.775 O30.897 K.035 Ca.472 Mg.022 Sr.002 Si10.133 Al1.85 Fe.007 H13.794'
_cell_length_a 18.120
_cell_length_b 20.494
_cell_length_c 7.531
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2796.647
_exptl_crystal_density_diffrn      2.095
_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
NaA   0.00000   0.50000   0.00000   0.77500   0.03300
WatA   0.00000   0.50000   0.00000   0.22500   0.03300
KB   0.00000   0.57900   0.25000   0.03500   0.14000
WatB   0.00000   0.57900   0.25000   0.48500   0.14000
CaC   0.44400   0.21500   0.25000   0.11800   0.15000
MgC   0.44400   0.21500   0.25000   0.00550   0.15000
SrC   0.44400   0.21500   0.25000   0.00050   0.15000
WatD   0.50000   0.33500   0.25000   0.71600   0.14000
WatE   0.62700   0.48100   0.25000   0.95200   0.11000
CaF   0.50000   0.47800   0.25000   0.23600   0.04300
MgF   0.50000   0.47800   0.25000   0.01100   0.04300
SrF   0.50000   0.47800   0.25000   0.00100   0.04300
WatF   0.50000   0.47800   0.25000   0.17300   0.04300
WatG   0.50000   0.39800   0.48700   0.79300   0.09600
WatH   0.11100   0.00000   0.00000   0.29400   0.01500
WatJ   0.00000   0.06000   0.06400   0.61000   0.09800
SiT1   0.30300   0.07200   0.03700   0.84440   0.01100
AlT1   0.30300   0.07200   0.03700   0.15420   0.01100
FeT1   0.30300   0.07200   0.03700   0.00060   0.01100
SiT2   0.30500   0.31100   0.04600   0.84440   0.01100
AlT2   0.30500   0.31100   0.04600   0.15420   0.01100
FeT2   0.30500   0.31100   0.04600   0.00060   0.01100
SiT3   0.08800   0.38800   0.25000   0.84440   0.01100
AlT3   0.08800   0.38800   0.25000   0.15420   0.01100
FeT3   0.08800   0.38800   0.25000   0.00060   0.01100
SiT4   0.08500   0.22900   0.25000   0.84440   0.01100
AlT4   0.08500   0.22900   0.25000   0.15420   0.01100
FeT4   0.08500   0.22900   0.25000   0.00060   0.01100
O1   0.11800   0.41400   0.44300   1.00000   0.02400
O2   0.12100   0.19100   0.42200   1.00000   0.02400
O3   0.23100   0.11700   0.99000   1.00000   0.02400
O4   0.09500   0.30800   0.25000   1.00000   0.02400
O5   0.16300   0.19300   0.75000   1.00000   0.02400
O6   0.17900   0.42200   0.75000   1.00000   0.02400
O7   0.23500   0.50000   0.50000   1.00000   0.02400
O8   0.25000   0.25000   0.50000   1.00000   0.02400
O9   0.00000   0.40500   0.25000   1.00000   0.02400
O10   0.00000   0.20300   0.25000   1.00000   0.02400