data_global
_chemical_name_mineral 'Epidote'
loop_
_publ_author_name
'Dollase W A'
_journal_name_full 'American Mineralogist'
_journal_volume 56
_journal_year 1971
_journal_page_first 447
_journal_page_last 464
_publ_section_title
;
 Refinement of the crystal structures of epidote, allanite and hancockite
;
_database_code_amcsd 226
_chemical_formula_sum 'Ca2 Si3 Al2.17 Fe.81 O13 H'
_cell_length_a 8.914
_cell_length_b 5.64
_cell_length_c 10.162
_cell_angle_alpha 90.0
_cell_angle_beta 115.4
_cell_angle_gamma 90.0
_cell_volume 461.509
_exptl_crystal_density_diffrn  3.434
_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
_atom_site_U_iso_or_equiv
Ca1   0.7562  0.75  0.151  1.0  0.00963
Ca2   0.6042  0.75  0.4241  1.0  0.01165
Si1   0.3396  0.75  0.0473  1.0  0.00519
Si2   0.6851  0.25  0.2744  1.0  0.00608
Si3   0.1844  0.75  0.3189  1.0  0.00532
Al1   0.0  0.0  0.0  0.93  0.00646
Fe1   0.0  0.0  0.0  0.05  0.00646
Al2   0.0  0.0  0.5  1.0  0.00545
Fe3   0.2946  0.25  0.2245  0.76  0.00532
Al3   0.2946  0.25  0.2245  0.24  0.00532
O1   0.2339  0.9923  0.041  1.0  0.00887
O2   0.304  0.9809  0.3554  1.0  0.00798
O3   0.7957  0.0152  0.3382  1.0  0.01001
O4   0.0528  0.25  0.1294  1.0  0.0076
O5   0.0417  0.75  0.1471  1.0  0.0076
O6   0.0683  0.75  0.4078  1.0  0.00633
O7   0.5164  0.75  0.1825  1.0  0.0076
O8   0.5281  0.25  0.3099  1.0  0.0114
O9   0.6265  0.25  0.099  1.0  0.01267
O-H10   0.0838  0.25  0.4298  1.0  0.00887
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca1   0.01215  0.00886  0.00982  0.0  0.00674  0.0
Ca2   0.01183  0.0166  0.00598  0.0  0.00187  0.0
Fe3   0.00526  0.00483  0.00512  0.0  0.0015  0.0
Al3   0.00526  0.00483  0.00512  0.0  0.0015  0.0