data_global _chemical_name_mineral 'Hedyphane' loop_ _publ_author_name 'Rouse R C' 'Dunn P J' 'Peacor D R' _journal_name_full 'American Mineralogist' _journal_volume 69 _journal_year 1984 _journal_page_first 920 _journal_page_last 927 _publ_section_title ; Hedyphane from Franklin, New Jersey and Langban, Sweden: Cation ordering in an arsenate apatite sample H90417 from Langban, Sweden ; _database_code_amcsd 0000957 _chemical_formula_sum 'Ca2 Pb3 As3 O12 Cl' _cell_length_a 10.140 _cell_length_b 10.140 _cell_length_c 7.185 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 639.784 _exptl_crystal_density_diffrn 5.990 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.33333 0.66667 0.00900 Pb 0.25810 0.01420 0.25000 As 0.40210 0.38950 0.25000 O1 0.36400 0.52300 0.25000 O2 0.61600 0.47400 0.25000 O3 0.36500 0.27600 0.06500 Cl 0.00000 0.00000 0.00000 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 0.00273 0.00273 0.00497 0.00117 0.00000 0.00000 Pb 0.00703 0.01055 0.01805 0.00391 0.00000 0.00000 As 0.00313 0.00313 0.01046 0.00039 0.00000 0.00000 O1 -0.00391 0.00430 0.01883 0.00039 0.00000 0.00000 O2 0.01445 0.02149 0.00392 0.01250 0.00000 0.00000 O3 0.04649 0.01992 0.04263 0.02852 -0.04251 -0.02525 Cl 0.02266 0.02266 0.00785 0.01133 0.00000 0.00000