data_global
_chemical_name_mineral 'Edingtonite'
loop_
_publ_author_name
'Stahl K'
'Hanson J C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 10 
_journal_year 1998
_journal_page_first 221
_journal_page_last 228
_publ_section_title
;
 An in situ study of the edingtonite dehydration process from
 X-ray synchrotron powder diffraction
 Sample: 396 K
;
_database_code_amcsd 0006715
_chemical_formula_sum '(Ba.9 Ca.1) Al2 Si3 O12.46 H4.92'
_cell_length_a 9.4903
_cell_length_b 9.5690
_cell_length_c 6.5290
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 592.916
_exptl_crystal_density_diffrn      2.633
_symmetry_space_group_name_H-M 'P 21 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-x,-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
Ba   0.50000   0.00000   0.62840   0.90000   0.03420
Ca   0.50000   0.00000   0.62840   0.10000   0.03420
Al   0.08720   0.16720   0.62820   1.00000   0.02153
Si1   0.00000   0.00000   0.00540   1.00000   0.02153
Si2  -0.17550   0.09550   0.38450   1.00000   0.02153
O1   0.17340   0.32080   0.62140   1.00000   0.01267
O2  -0.05950   0.20420   0.47240   1.00000   0.01267
O3   0.18340   0.03460   0.53520   1.00000   0.01267
O4   0.03580   0.13520   0.87660   1.00000   0.01267
O5  -0.13470   0.03250   0.16570   1.00000   0.01267
Wat1   0.13360   0.33380   0.12810   0.49000   0.04686
Wat2   0.38860   0.12920  -0.02130   0.74000   0.04686