data_global
_chemical_name_mineral 'Epistilbite'
loop_
_publ_author_name
'Cruciani G'
'Martucci A'
'Meneghini C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 257
_journal_page_last 266
_publ_section_title
;
 Dehydration dynamics of epistilbite by in situ time resolved synchrotron
 powder diffraction
 T = 528 K
;
_database_code_amcsd 0006969
_chemical_formula_sum 'Ca.35 (Al.726 Si2.274) O7.205 H2.41'
_cell_length_a 9.0935
_cell_length_b 17.6912
_cell_length_c 10.2094
_cell_angle_alpha 90
_cell_angle_beta 124.569
_cell_angle_gamma 90
_cell_volume 1352.454
_exptl_crystal_density_diffrn      2.114
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
Ca1   0.74600   0.00000   0.23780   0.41000   0.07700
Ca2   0.72500   0.00000   0.49680   0.29000   0.15500
AlT1   0.01020   0.08590   0.16830   0.24200   0.03500
SiT1   0.01020   0.08590   0.16830   0.75800   0.03500
AlT2   0.29260   0.20870   0.38500   0.24200   0.03500
SiT2   0.29260   0.20870   0.38500   0.75800   0.03500
AlT3   0.71640   0.19560   0.10360   0.24200   0.03500
SiT3   0.71640   0.19560   0.10360   0.75800   0.03500
O1   0.03990   0.00000   0.23310   1.00000   0.06800
O2   0.00000   0.07610   0.00000   1.00000   0.06800
O3   0.81520   0.11570   0.12820   1.00000   0.06800
O4   0.17170   0.13440   0.30800   1.00000   0.06800
O5   0.50000   0.17880   0.00000   1.00000   0.06800
O6   0.50000   0.17380   0.50000   1.00000   0.06800
O7   0.75000   0.25000   0.00000   1.00000   0.06800
O8   0.76540   0.21840   0.27930   1.00000   0.06800
O9   0.25000   0.25000   0.50000   1.00000   0.06800
Wat1   0.50000   0.00000   0.50000   0.83000   0.18600
Wat2   0.00000   0.10160   0.50000   0.66000   0.14000
Wat3   0.57700   0.08460   0.32050   0.49000   0.18800
Wat4   0.50000   0.00000   0.00000   0.71000   0.13000