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 = 0.0001 GPa in diamond cell
;
_database_code_amcsd 0003530
_chemical_formula_sum 'Ba.91 (Si3.04 Al1.96) O13.32 H6.64'
_cell_length_a 9.5909
_cell_length_b 9.5909
_cell_length_c 6.5339
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 601.023
_exptl_crystal_density_diffrn      2.669
_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   0.64480   0.76000   0.01930
Ba2   0.50000   0.00000   0.59380   0.15000   0.02690
SiT1   0.00000   0.00000   0.00000   0.60000   0.01480
AlT1   0.00000   0.00000   0.00000   0.40000   0.01480
SiT2  -0.17337   0.09321   0.38132   0.61000   0.01698
AlT2  -0.17337   0.09321   0.38132   0.39000   0.01698
O1   0.17285   0.32715   0.61950   1.00000   0.02090
O23  -0.04456   0.19450   0.46650   1.00000   0.02270
O45  -0.13640   0.03823   0.14560   1.00000   0.02190
Wat1   0.17860   0.32130   0.14050   0.74000   0.03760
Wat2   0.37400   0.12590  -0.01920   0.92000   0.06600