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: 451 K
;
_database_code_amcsd 0006716
_chemical_formula_sum '(Ba.9 Ca.1) Al2 Si3 O12.04 H4.08'
_cell_length_a 9.4393
_cell_length_b 9.5089
_cell_length_c 6.5042
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 583.800
_exptl_crystal_density_diffrn      2.631
_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   0.63340   0.90000   0.03673
Ca   0.50000   0.00000   0.63340   0.10000   0.03673
Al   0.08720   0.17120   0.63510   1.00000   0.02153
Si1   0.00000   0.00000   0.00530   1.00000   0.02153
Si2  -0.17670   0.09410   0.38550   1.00000   0.02153
O1   0.16680   0.32720   0.60810   1.00000   0.01773
O2  -0.05670   0.20540   0.47110   1.00000   0.01773
O3   0.18590   0.03400   0.54090   1.00000   0.01773
O4   0.02370   0.13870   0.87470   1.00000   0.01773
O5  -0.13580   0.03350   0.16650   1.00000   0.01773
Wat1   0.13360   0.33380   0.12810   0.16000   0.05193
Wat2   0.39970   0.13620  -0.02620   0.86000   0.05193