data_global _chemical_name_mineral 'Bobdownsite' loop_ _publ_author_name 'Tait K T' 'Barkley M C' 'Thompson R M' 'Origlieri M J' 'Evans S H' 'Prewitt C T' 'Yang H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 49 _journal_year 2011 _journal_page_first 1065 _journal_page_last 1078 _publ_section_title ; Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109 ; _database_code_amcsd 0018921 _chemical_compound_source 'Big Fish River, Yukon Territory, Canada' _chemical_formula_sum 'Ca8.76 Na.24 Mg.72 Fe.17 Al.11 P7 O27 F' _cell_length_a 10.3224 _cell_length_b 10.3224 _cell_length_c 37.0700 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3420.697 _exptl_crystal_density_diffrn 3.071 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 0.29204 0.15618 0.67232 0.92000 0.01975 Na1 0.29204 0.15618 0.67232 0.08000 0.01975 Ca2 0.28036 0.14639 0.56518 1.00000 0.00958 Ca3 0.38693 0.17961 0.76766 1.00000 0.01023 Mg 0.00000 0.00000 -0.00027 0.72000 0.00926 Fe3+ 0.00000 0.00000 -0.00027 0.13000 0.00926 Al 0.00000 0.00000 -0.00027 0.11000 0.00926 Fe2+ 0.00000 0.00000 -0.00027 0.04000 0.00926 P1A 0.00000 0.00000 0.75327 0.85000 0.01079 P1B 0.00000 0.00000 0.73224 0.15000 0.00310 P2 0.31741 0.14328 0.86398 1.00000 0.00838 P3 0.35016 0.15739 0.96736 1.00000 0.00808 O1 0.27457 0.09214 0.82483 1.00000 0.01685 O2 0.24800 0.23372 0.87773 1.00000 0.01460 O3 0.27343 0.00192 0.88653 1.00000 0.01074 O4 0.48946 0.24182 0.86809 1.00000 0.01222 O5 0.40343 0.19661 0.00672 1.00000 0.01499 O6 0.39835 0.04735 0.95383 1.00000 0.01252 O7 0.41548 0.30324 0.94638 1.00000 0.01468 O8 0.17792 0.07889 0.96373 1.00000 0.01169 O9 -0.01911 0.12994 0.74208 1.00000 0.01860 F1A 0.00000 0.00000 0.79710 0.85000 0.04092 F1B 0.00000 0.00000 0.68929 0.15000 0.01688 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 0.03511 0.01763 0.01520 0.01971 -0.01113 -0.00810 Na1 0.03511 0.01763 0.01520 0.01971 -0.01113 -0.00810 Ca2 0.01052 0.00967 0.00938 0.00568 -0.00060 -0.00144 Ca3 0.01158 0.00933 0.00965 0.00513 -0.00211 -0.00056 Mg 0.00932 0.00932 0.00915 0.00466 0.00000 0.00000 Fe3+ 0.00932 0.00932 0.00915 0.00466 0.00000 0.00000 Al 0.00932 0.00932 0.00915 0.00466 0.00000 0.00000 Fe2+ 0.00932 0.00932 0.00915 0.00466 0.00000 0.00000 P1A 0.00859 0.00859 0.01519 0.00429 0.00000 0.00000 P1B 0.00424 0.00424 0.00082 0.00212 0.00000 0.00000 P2 0.00923 0.00889 0.00802 0.00528 -0.00002 0.00048 P3 0.00866 0.00858 0.00717 0.00444 -0.00007 0.00039 O1 0.02334 0.02027 0.00918 0.01258 0.00063 -0.00010 O2 0.01738 0.01953 0.01381 0.01442 0.00189 0.00041 O3 0.01110 0.00819 0.00999 0.00262 0.00214 0.00158 O4 0.00775 0.00834 0.01814 0.00219 0.00216 0.00141 O5 0.02395 0.01651 0.00755 0.01240 -0.00328 -0.00191 O6 0.01311 0.01586 0.01183 0.00968 -0.00188 -0.00272 O7 0.01650 0.01236 0.01213 0.00494 0.00229 0.00501 O8 0.00861 0.01090 0.01411 0.00380 -0.00017 0.00024 O9 0.01781 0.01342 0.02749 0.00999 0.00844 0.00417 F1A 0.03719 0.03719 0.04838 0.01860 0.00000 0.00000