data_global _chemical_name_mineral 'Beusite' loop_ _publ_author_name 'Tait K T' 'Hawthorne F C' 'Wise M A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 51 _journal_year 2013 _journal_page_first 653 _journal_page_last 662 _publ_section_title ; The crystal chemistry of the graftonite-beusite minerals Notes: Sample B3 ; _database_code_amcsd 0020201 _chemical_compound_source 'Los Aleros, San Luis, Argentina' _chemical_formula_sum 'Mn1.75 Ca.36 Fe.67 Mg.21 Zn.01 P2 O8' _cell_length_a 8.7919 _cell_length_b 11.5414 _cell_length_c 6.1669 _cell_angle_alpha 90 _cell_angle_beta 99.192 _cell_angle_gamma 90 _cell_volume 617.725 _exptl_crystal_density_diffrn 3.696 _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 Mn(1) 0.94370 0.11994 0.83900 0.64000 0.01590 Ca(1) 0.94370 0.11994 0.83900 0.36000 0.01590 Fe(2) 0.71679 0.07653 0.32916 0.67000 0.01740 Mn(2) 0.71679 0.07653 0.32916 0.11000 0.01740 Mg(2) 0.71679 0.07653 0.32916 0.21000 0.01740 Zn(2) 0.71679 0.07653 0.32916 0.01000 0.01740 Mn(3) 0.36041 0.19110 0.12858 1.00000 0.01180 P(1) 0.09020 0.13591 0.39340 1.00000 0.00900 P(2) 0.60280 0.08865 0.80700 1.00000 0.00860 O(1) 0.07710 0.06870 0.17640 1.00000 0.01390 O(2) 0.47570 0.17700 0.83110 1.00000 0.01410 O(3) 0.93680 0.19570 0.41540 1.00000 0.02010 O(4) 0.69300 0.12760 0.62570 1.00000 0.01440 O(5) 0.21260 0.23000 0.37900 1.00000 0.01830 O(6) 0.72600 0.23000 0.01450 1.00000 0.01280 O(7) 0.13670 0.06090 0.59700 1.00000 0.01870 O(8) 0.53260 -0.03340 0.75960 1.00000 0.01210