data_global
_chemical_name_mineral 'Epidote'
loop_
_publ_author_name
'Ito T'
_journal_name_full 'American Mineralogist'
_journal_volume 32
_journal_year 1947
_journal_page_first 309
_journal_page_last 321
_publ_section_title
;
 The structure of epidote (HCa2(Al,Fe)Al2Si3O13)
;
_database_code_amcsd 41
_chemical_formula_sum 'Ca2 Al2 Fe Si3 O13 H'
_cell_length_a 8.96
_cell_length_b 5.63
_cell_length_c 10.2
_cell_angle_alpha 90.0
_cell_angle_beta 115.4
_cell_angle_gamma 90.0
_cell_volume 464.799
_exptl_crystal_density_diffrn  3.453
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-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
Ca1   0.963  0.25  0.641  1.0
Ca2   0.963  0.75  0.641  1.0
Al   0.789  0.25  0.814  1.0
Fe   0.0  0.0  0.0  1.0
Si1   0.394  0.25  0.711  0.75
Al1   0.394  0.25  0.711  0.25
Si2   0.604  0.75  0.695  0.75
Al2   0.604  0.75  0.695  0.25
Si3   0.582  0.25  0.553  0.75
Al3   0.582  0.25  0.553  0.25
Si4   0.375  0.75  0.94  0.75
Al4   0.375  0.75  0.94  0.25
O1   0.042  0.0  0.843  1.0
O2   0.301  0.0  0.742  1.0
O3   0.783  0.0  0.694  1.0
O4   0.535  0.25  0.821  1.0
O5   0.535  0.75  0.821  1.0
O6   0.42  0.25  0.582  1.0
O7   0.42  0.75  0.582  1.0
O8   0.0  0.0  0.5  1.0
O9   0.179  0.75  0.033  1.0
O-H10   0.179  0.25  0.033  1.0