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 = 2.285 GPa
;
_database_code_amcsd 0003531
_chemical_formula_sum 'Ba.88 (Si3.04 Al1.96) O13.32 H6.64'
_cell_length_a 9.4669
_cell_length_b 9.4669
_cell_length_c 6.4765
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 580.438
_exptl_crystal_density_diffrn      2.740
_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   0.64407   0.84000   0.01560
Ba2   0.50000   0.00000   0.59900   0.04000   0.03500
SiT1   0.00000   0.00000   0.00000   0.60000   0.01850
AlT1   0.00000   0.00000   0.00000   0.40000   0.01850
SiT2  -0.17650   0.08882   0.38125   0.61000   0.01860
AlT2  -0.17650   0.08882   0.38125   0.39000   0.01860
O1   0.16745   0.33255   0.62770   1.00000   0.01790
O23  -0.05014   0.19435   0.45890   1.00000   0.02290
O45  -0.14302   0.03088   0.14350   1.00000   0.02420
Wat1   0.17930   0.32060   0.15520   0.74000   0.01600
Wat2   0.37740   0.12250  -0.01360   0.92000   0.04990