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 B2 ; _database_code_amcsd 0020200 _chemical_compound_source 'Rice mine, North Groton, New Hampshire, USA' _chemical_formula_sum 'Mn1.75 Ca.36 Fe.67 Mg.21 Zn.01 P2 O8' _cell_length_a 8.7900 _cell_length_b 11.5382 _cell_length_c 6.1654 _cell_angle_alpha 90 _cell_angle_beta 99.199 _cell_angle_gamma 90 _cell_volume 617.258 _exptl_crystal_density_diffrn 3.698 _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) 0.94364 0.11988 0.83899 0.64000 0.01620 Ca(1) 0.94364 0.11988 0.83899 0.36000 0.01620 Fe(2) 0.71692 0.07660 0.32915 0.67000 0.01790 Mn(2) 0.71692 0.07660 0.32915 0.11000 0.01790 Mg(2) 0.71692 0.07660 0.32915 0.21000 0.01790 Zn(2) 0.71692 0.07660 0.32915 0.01000 0.01790 Mn(3) 0.36044 0.19111 0.12860 1.00000 0.01200 P(1) 0.09038 0.13580 0.39342 1.00000 0.00930 P(2) 0.60285 0.08864 0.80689 1.00000 0.00910 O(1) 0.07704 0.06880 0.17690 1.00000 0.01510 O(2) 0.47560 0.17680 0.83070 1.00000 0.01380 O(3) 0.93720 0.19540 0.41580 1.00000 0.02100 O(4) 0.69270 0.12750 0.62570 1.00000 0.01370 O(5) 0.21240 0.23020 0.37890 1.00000 0.01790 O(6) 0.72560 0.08730 0.01470 1.00000 0.01310 O(7) 0.13670 0.06150 0.59670 1.00000 0.01990 O(8) 0.53280 -0.03350 0.76020 1.00000 0.01250