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: 310 K
;
_database_code_amcsd 0006714
_chemical_formula_sum '(Ba.9 Ca.1) Al2 Si3 O13.08 H6.16'
_cell_length_a 9.5374
_cell_length_b 9.6127
_cell_length_c 6.5233
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 598.057
_exptl_crystal_density_diffrn      2.673
_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   0.63220   0.90000   0.03040
Ca   0.50000   0.00000   0.63220   0.10000   0.03040
Al   0.08870   0.16800   0.62410   1.00000   0.02026
Si1   0.00000   0.00000   0.00520   1.00000   0.02026
Si2  -0.17550   0.09520   0.38650   1.00000   0.02026
O1   0.17510   0.32290   0.62330   1.00000   0.01393
O2  -0.05650   0.20000   0.46670   1.00000   0.01393
O3   0.18550   0.03600   0.53220   1.00000   0.01393
O4   0.03590   0.13460   0.87370   1.00000   0.01393
O5  -0.13480   0.03990   0.15690   1.00000   0.01393
Wat1   0.16820   0.32650   0.13780   0.73000   0.03800
Wat2   0.38620   0.12580  -0.01900   0.81000   0.03800