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