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 R070654 ; _database_code_amcsd 0018922 _chemical_compound_source 'Tip Top mine, South Dakota, USA' _chemical_formula_sum 'Ca9 (Mg.96 Al.04) P6.97 O27.16 (F.84 H.16)' _cell_length_a 10.3394 _cell_length_b 10.3394 _cell_length_c 37.0836 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3433.232 _exptl_crystal_density_diffrn 3.052 _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 0.29139 0.15560 0.67238 1.00000 0.02147 Ca2 0.28027 0.14660 0.56521 1.00000 0.01020 Ca3 0.38790 0.18026 0.76766 1.00000 0.01073 Mg 0.00000 0.00000 -0.00029 0.96000 0.01249 Al 0.00000 0.00000 -0.00029 0.04000 0.01249 P1A 0.00000 0.00000 0.75328 0.81000 0.01100 P1B 0.00000 0.00000 0.73141 0.16000 0.00938 P2 0.31797 0.14350 0.86408 1.00000 0.00896 P3 0.35050 0.15790 0.96726 1.00000 0.00905 O1 0.27505 0.09304 0.82489 1.00000 0.01846 O2 0.24781 0.23355 0.87747 1.00000 0.01510 O3 0.27316 0.00185 0.88617 1.00000 0.01185 O4 0.48916 0.24185 0.86830 1.00000 0.01220 O5 0.40357 0.19701 0.00671 1.00000 0.01662 O6 0.39911 0.04845 0.95381 1.00000 0.01399 O7 0.41528 0.30367 0.94631 1.00000 0.01594 O8 0.17901 0.07881 0.96363 1.00000 0.01181 F9 0.00000 0.00000 0.79715 0.84000 0.04541 O-H9 0.00000 0.00000 0.79715 0.16000 0.04541 O10 -0.02014 0.12977 0.74149 1.00000 0.01912 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 0.03703 0.01956 0.01715 0.02116 -0.01176 -0.00842 Ca2 0.01097 0.01029 0.01016 0.00593 -0.00061 -0.00140 Ca3 0.01209 0.00913 0.01070 0.00510 -0.00259 -0.00070 Mg 0.01252 0.01252 0.01243 0.00626 0.00000 0.00000 Al 0.01252 0.01252 0.01243 0.00626 0.00000 0.00000 P1A 0.00840 0.00840 0.01621 0.00420 0.00000 0.00000 P1B 0.01074 0.01074 0.00667 0.00537 0.00000 0.00000 P2 0.00915 0.00936 0.00915 0.00521 0.00044 0.00073 P3 0.00874 0.00979 0.00828 0.00439 0.00021 0.00074 O1 0.02380 0.02091 0.01092 0.01135 -0.00044 -0.00017 O2 0.01753 0.01909 0.01519 0.01403 0.00250 0.00070 O3 0.01122 0.00976 0.01197 0.00331 0.00188 0.00224 O4 0.00818 0.00880 0.01811 0.00310 0.00257 0.00179 O5 0.02488 0.01931 0.00850 0.01316 -0.00182 -0.00105 O6 0.01460 0.01805 0.01320 0.01109 -0.00099 -0.00180 O7 0.01513 0.01249 0.01589 0.00367 0.00007 0.00322 O8 0.00827 0.01062 0.01572 0.00412 0.00081 0.00022 F9 0.04343 0.04343 0.04937 0.02171 0.00000 0.00000 O-H9 0.04343 0.04343 0.04937 0.02171 0.00000 0.00000 O10 0.01766 0.01132 0.02970 0.00825 0.00700 0.00498