data_global
_chemical_name_mineral 'Epidote'
loop_
_publ_author_name
'Gabe E J'
'Portheine J C'
'Whitlow S H'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 218
_journal_page_last 223
_publ_section_title
;
 A reinvestigation of the epidote structure: Confirmation of the iron location
 sample LEP
;
_database_code_amcsd 309
_chemical_formula_sum 'Ca2 Si3 Al2.6 Fe.4 O13 H'
_cell_length_a 8.8802
_cell_length_b 5.6043
_cell_length_c 10.1511
_cell_angle_alpha 90.0
_cell_angle_beta 115.455
_cell_angle_gamma 90.0
_cell_volume 456.15
_exptl_crystal_density_diffrn  3.392
_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   0.75972  0.75  0.15373  1.0
Ca2   0.6066  0.75  0.42363  1.0
Si1   0.3388  0.75  0.04804  1.0
Si2   0.68054  0.25  0.27507  1.0
Si3   0.18304  0.75  0.31686  1.0
Al1   0.0  0.0  0.0  1.0
Al2   0.0  0.0  0.5  1.0
Al3   0.29085  0.25  0.22415  0.6
Fe3   0.29095  0.25  0.22415  0.4
O1   0.23427  0.99603  0.04377  1.0
O2   0.30189  0.98442  0.35306  1.0
O3   0.79037  0.01259  0.34346  1.0
O4   0.0536  0.25  0.13082  1.0
O5   0.04009  0.75  0.14389  1.0
O6   0.06242  0.75  0.40295  1.0
O7   0.516  0.75  0.17858  1.0
O8   0.51639  0.25  0.3015  1.0
O9   0.6354  0.25  0.10181  1.0
O10   0.07498  0.25  0.42501  1.0
H   0.079  0.25  0.338  1.0
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   0.01127  0.00944  0.00885  0.0  0.00629  0.0
Ca2   0.01032  0.01609  0.00721  0.0  0.00333  0.0
Si1   0.00485  0.00528  0.00471  0.0  0.00173  0.0
Si2   0.00595  0.0056  0.00502  0.0  0.00202  0.0
Si3   0.00476  0.00611  0.00468  0.0  0.00214  0.0
Al1   0.00557  0.00471  0.00581  -0.00048  0.00197  -0.00031
Al2   0.00549  0.00464  0.00599  0.00028  0.00181  0.00017
Al3   0.00472  0.00669  0.00574  0.0  0.00162  0.0
Fe3   0.00472  0.00669  0.00574  0.0  0.00162  0.0
O1   0.00683  0.00662  0.01011  0.00067  0.00375  0.00079
O2   0.00838  0.00926  0.00728  -0.00268  0.0039  -0.00133
O3   0.00675  0.00611  0.01011  0.00075  -0.00049  -0.00051
O4   0.00691  0.0062  0.0043  0.0  0.00222  0.0
O5   0.00634  0.00609  0.00407  0.0  0.00186  0.0
O6   0.00792  0.00604  0.00734  0.0  0.00511  0.0
O7   0.0064  0.00995  0.00789  0.0  0.00141  0.0
O8   0.01241  0.01338  0.01708  0.0  0.01108  0.0
O9   0.0213  0.02206  0.00855  0.0  0.00944  0.0
O10   0.00916  0.00609  0.00699  0.0  0.00544  0.0