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 = 450 C
;
_database_code_amcsd 0006997
_chemical_formula_sum 'O9.081 Si3.378 Al.617 Fe.002 H2.161'
_cell_length_a 18.024
_cell_length_b 20.386
_cell_length_c 7.503
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2756.882
_exptl_crystal_density_diffrn      1.873
_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
WatA   0.00000   0.50000   0.00000   0.72000   0.10700
WatB   0.00000   0.55900   0.12700   0.26000   0.12500
WatC*   0.44100   0.12500   0.25000   0.13100   0.15100
WatD*   0.50000   0.25100   0.37200   0.11000   0.13900
WatE   0.58600   0.52300   0.25000   0.14600   0.16600
WatG   0.50000   0.31300   0.43400   0.15000   0.13000
WatG*   0.50000   0.31300   0.43400   0.15000   0.13000
WatJ   0.00000   0.07500  -0.02400   0.31400   0.18200
SiT1   0.29900   0.07300   0.03500   0.84440   0.05000
AlT1   0.29900   0.07300   0.03500   0.15420   0.05000
FeT1   0.29900   0.07300   0.03500   0.00060   0.05000
SiT2   0.30800   0.30600   0.03800   0.84440   0.05000
AlT2   0.30800   0.30600   0.03800   0.15420   0.05000
FeT2   0.30800   0.30600   0.03800   0.00060   0.05000
SiT3   0.08800   0.38700   0.25000   0.84440   0.05000
AlT3   0.08800   0.38700   0.25000   0.15420   0.05000
FeT3   0.08800   0.38700   0.25000   0.00060   0.05000
SiT4   0.08700   0.22700   0.25000   0.84440   0.05000
AlT4   0.08700   0.22700   0.25000   0.15420   0.05000
FeT4   0.08700   0.22700   0.25000   0.00060   0.05000
O1   0.12400   0.41400   0.43600   1.00000   0.06800
O2   0.11800   0.19100   0.42800   1.00000   0.06800
O3   0.23600   0.12500   0.98000   1.00000   0.06800
O4   0.08600   0.30600   0.25000   1.00000   0.06800
O5   0.15900   0.19100   0.75000   1.00000   0.06800
O6   0.17700   0.41700   0.75000   1.00000   0.06800
O7   0.23300   0.50000   0.50000   1.00000   0.06800
O8   0.25000   0.25000   0.50000   1.00000   0.06800
O9   0.00000   0.40900   0.25000   1.00000   0.06800
O10   0.00000   0.20500   0.25000   1.00000   0.06800