data_global
_chemical_name_mineral 'Edingtonite'
loop_
_publ_author_name
'Gatta G D'
'Ballaran T B'
'Comodi P'
'Zanazzi P F'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 633
_journal_page_last 639
_publ_section_title
;
 Isothermal equation of state and compressional behavior of tetragonal edingtonite
 Sample at P = 4.611 GPa
;
_database_code_amcsd 0003532
_chemical_formula_sum 'Ba.89 (Si3.04 Al1.96) O13.32 H6.64'
_cell_length_a 9.3466
_cell_length_b 9.3466
_cell_length_c 6.42705
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 561.460
_exptl_crystal_density_diffrn      2.841
_symmetry_space_group_name_H-M 'P -4 21 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,-x,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,x,-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
Ba1   0.50000   0.00000   0.64515   0.89000   0.01287
SiT1   0.00000   0.00000   0.00000   0.60000   0.01700
AlT1   0.00000   0.00000   0.00000   0.40000   0.01700
SiT2  -0.17921   0.08614   0.38026   0.61000   0.01390
AlT2  -0.17921   0.08614   0.38026   0.39000   0.01390
O1   0.15880   0.34110   0.63030   1.00000   0.01530
O23  -0.05080   0.19090   0.45440   1.00000   0.02360
O45  -0.14800   0.02300   0.14380   1.00000   0.02030
Wat1   0.18510   0.31480   0.16130   0.74000   0.01060
Wat2   0.37570   0.12430  -0.01700   0.92000   0.04460