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 air
;
_database_code_amcsd 0003529
_chemical_formula_sum 'Ba.94 (Si3.04 Al1.96) O13.54 H7.08'
_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      2.714
_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   0.64292   0.79000   0.01583
Ba2   0.50000   0.00000   0.59380   0.15000   0.01380
SiT1   0.00000   0.00000   0.00000   0.60000   0.00933
AlT1   0.00000   0.00000   0.00000   0.40000   0.00933
SiT2  -0.17347   0.09318   0.38107   0.61000   0.00934
AlT2  -0.17347   0.09318   0.38107   0.39000   0.00934
O1   0.17297   0.32703   0.62436   1.00000   0.01337
O23  -0.04481   0.19643   0.46501   1.00000   0.01664
O45  -0.13667   0.03769   0.14424   1.00000   0.01659
Wat1   0.17659   0.32341   0.14610   0.79000   0.03100
Wat2   0.37786   0.12214  -0.02510   0.98000   0.05810