data_global _chemical_name_mineral 'Beusite-(Ca)' loop_ _publ_author_name 'Hawthorne F C' 'Wise M A' 'Cerny P' 'Abdu Y A' 'Ball N A' 'Pieczka A' 'Wlodek A' _journal_name_full 'Mineralogical Magazine' _journal_volume 82 _journal_year 2018 _journal_page_first 1323 _journal_page_last 1332 _publ_section_title ; Beusite-(Ca), ideally CaMn22+(PO4)2, a new graftonite-group mineral from the Yellowknife pegmatite field, Northwest Territories, Canada: Description and crystal structure ; _database_code_amcsd 0020882 _chemical_compound_source 'Yellowknife pegmatite field, Northwest Territories, Canada' _chemical_formula_sum 'Ca.94 Mn1.14 Fe.92 P2 O8' _cell_length_a 8.799 _cell_length_b 11.724 _cell_length_c 6.170 _cell_angle_alpha 90 _cell_angle_beta 99.23 _cell_angle_gamma 90 _cell_volume 628.253 _exptl_crystal_density_diffrn 3.612 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 CaM1 0.94894 0.12351 0.82833 0.94000 0.01288 Mn2+M1 0.94894 0.12351 0.82833 0.06000 0.01288 Fe2+M2 0.71246 0.07833 0.32707 0.79000 0.01370 Mn2+M2 0.71246 0.07833 0.32707 0.21000 0.01370 Fe2+M3 0.35905 0.19028 0.13246 0.13000 0.01182 Mn2+M3 0.35905 0.19028 0.13246 0.87000 0.01182 P1 0.09269 0.13378 0.39637 1.00000 0.00804 P2 0.60018 0.08968 0.80755 1.00000 0.00780 O1 0.08211 0.07072 0.17752 1.00000 0.01284 O2 0.47152 0.17524 0.83172 1.00000 0.01230 O3 0.93707 0.18677 0.42698 1.00000 0.01399 O4 0.68584 0.12832 0.62280 1.00000 0.01166 O5 0.20745 0.23269 0.38288 1.00000 0.01460 O6 0.72454 0.09121 0.01365 1.00000 0.01148 O7 0.14462 0.05912 0.59685 1.00000 0.01334 O8 0.53394 -0.03234 0.76444 1.00000 0.01110 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 CaM1 0.01427 0.01039 0.01330 0.00011 0.00017 -0.00136 Mn2+M1 0.01427 0.01039 0.01330 0.00011 0.00017 -0.00136 Fe2+M2 0.01367 0.02039 0.00700 0.00437 0.00153 0.00024 Mn2+M2 0.01367 0.02039 0.00700 0.00437 0.00153 0.00024 Fe2+M3 0.01322 0.01207 0.01001 0.00250 0.00141 0.00025 Mn2+M3 0.01322 0.01207 0.01001 0.00250 0.00141 0.00025 P1 0.00773 0.00825 0.00829 -0.00055 0.00169 -0.00009 P2 0.00756 0.00931 0.00675 0.00054 0.00175 0.00004 O1 0.01690 0.01150 0.01000 0.00050 0.00190 -0.00240 O2 0.01130 0.01430 0.01190 0.00480 0.00360 0.00130 O3 0.01070 0.01690 0.01510 0.00370 0.00430 -0.00050 O4 0.01230 0.01500 0.00850 -0.00170 0.00430 0.00040 O5 0.01680 0.01570 0.01170 -0.00920 0.00370 -0.00070 O6 0.00910 0.01770 0.00740 -0.00010 0.00040 -0.00030 O7 0.01640 0.01170 0.01130 0.00060 0.00070 0.00320 O8 0.01080 0.00950 0.01290 -0.00100 0.00140 0.00000