data_global
_chemical_name_mineral 'Hancockite'
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 228
_chemical_formula_sum 'Ca1.13 Pb.5 Sr.25 Mn.12 Si3 Al2.02 Fe.98 O13 H'
_cell_length_a 8.958
_cell_length_b 5.665
_cell_length_c 10.304
_cell_angle_alpha 90.0
_cell_angle_beta 114.4
_cell_angle_gamma 90.0
_cell_volume 476.194
_exptl_crystal_density_diffrn  4.044
_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
Ca   0.7639  0.75  0.1559  1.0  0.01267
Pb   0.5898  0.75  0.4124  0.5  0.01393
Sr   0.5898  0.75  0.4124  0.25  0.01393
Ca   0.5898  0.75  0.4124  0.13  0.01393
Mn   0.5898  0.75  0.4124  0.12  0.01393
Si1   0.337  0.75  0.0399  1.0  0.0114
Si2   0.6872  0.25  0.2777  1.0  0.01393
Si3   0.1758  0.75  0.3119  1.0  0.01267
Al1   0.0  0.0  0.0  0.86  0.0114
Fe1   0.0  0.0  0.0  0.14  0.0114
Al2   0.0  0.0  0.5  1.0  0.00887
Fe3   0.2903  0.25  0.219  0.84  0.0076
Al3   0.2903  0.25  0.219  0.16  0.0076
O1   0.235  0.988  0.04  1.0  0.01393
O2   0.29  0.979  0.342  1.0  0.01393
O3   0.796  0.011  0.347  1.0  0.02026
O4   0.052  0.25  0.129  1.0  0.00633
O5   0.038  0.75  0.146  1.0  0.01393
O6   0.062  0.75  0.407  1.0  0.0114
O7   0.517  0.75  0.169  1.0  0.02153
O8   0.524  0.25  0.309  1.0  0.0228
O9   0.642  0.25  0.11  1.0  0.019
O-H10   0.074  0.25  0.422  1.0  0.019
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
Ca   0.01753  0.00992  0.02186  0.0  0.01668  0.0
Pb   0.01247  0.02211  0.01472  0.0  0.01047  0.0
Sr   0.01247  0.02211  0.01472  0.0  0.01047  0.0
Ca   0.01247  0.02211  0.01472  0.0  0.01047  0.0
Mn   0.01247  0.02211  0.01472  0.0  0.01047  0.0
Fe3   0.00843  0.01382  0.01427  0.0  0.00853  0.0
Al3   0.00843  0.01382  0.01427  0.0  0.00853  0.0