data_global _chemical_name_mineral 'Fluoro-potassic-magnesio-arfvedsonite' loop_ _publ_author_name 'Oberti R' 'Boiocchi M' 'Hawthorne F C' 'Robinson P' _journal_name_full 'Mineralogical Magazine' _journal_volume 74 _journal_year 2010 _journal_page_first 951 _journal_page_last 960 _publ_section_title ; Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype from Quebec, Canada ; _database_code_amcsd 0018304 _chemical_compound_source 'Monte Metocha, Xixano region, Mozambique' _chemical_formula_sum 'K.98 (Na1.81 Ca.19) Mg3.09 Fe1.73 Ti.12 Al.01 Zn.01 Mn.04 Si8 O22.97 F1.03 H.73' _cell_length_a 9.9591 _cell_length_b 17.9529 _cell_length_c 5.2867 _cell_angle_alpha 90 _cell_angle_beta 104.340 _cell_angle_gamma 90 _cell_volume 915.783 _exptl_crystal_density_diffrn 3.194 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 KAm 0.03130 0.50000 0.07010 0.49000 0.02014 NaM4 0.00000 0.27750 0.50000 0.90500 0.01710 CaM4 0.00000 0.27750 0.50000 0.09500 0.01710 MgM1 0.00000 0.08940 0.50000 0.77000 0.00963 Fe2+M1 0.00000 0.08940 0.50000 0.17000 0.00963 TiM1 0.00000 0.08940 0.50000 0.06000 0.00963 Fe3+M2 0.00000 0.18250 0.00000 0.45000 0.00722 MgM2 0.00000 0.18250 0.00000 0.34000 0.00722 Fe2+M2 0.00000 0.18250 0.00000 0.20000 0.00722 AlM2 0.00000 0.18250 0.00000 0.00500 0.00722 ZnM2 0.00000 0.18250 0.00000 0.00500 0.00722 MgM3 0.00000 0.00000 0.00000 0.87000 0.00735 Fe2+M3 0.00000 0.00000 0.00000 0.09000 0.00735 MnM3 0.00000 0.00000 0.00000 0.04000 0.00735 SiT1 0.27580 0.08580 0.29760 1.00000 0.00595 SiT2 0.28530 0.17140 0.80400 1.00000 0.00595 O1 0.10980 0.08770 0.21610 1.00000 0.00849 O2 0.11810 0.16960 0.73050 1.00000 0.00861 F3 0.10480 0.00000 0.71190 0.51500 0.01140 O3 0.10480 0.00000 0.71190 0.48500 0.01140 O4 0.36080 0.24910 0.80140 1.00000 0.01127 O5 0.34410 0.12840 0.08860 1.00000 0.00963 O6 0.33930 0.11890 0.58770 1.00000 0.01001 O7 0.33070 0.00000 0.30560 1.00000 0.01064 H 0.18800 0.00000 0.74000 0.36500 0.01013 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 KAm 0.02641 0.01633 0.02592 0.00000 0.01978 0.00000 NaM4 0.02028 0.01306 0.02180 0.00000 0.01202 0.00000 CaM4 0.02028 0.01306 0.02180 0.00000 0.01202 0.00000 MgM1 0.01038 0.01143 0.00837 0.00000 0.00325 0.00000 Fe2+M1 0.01038 0.01143 0.00837 0.00000 0.00325 0.00000 TiM1 0.01038 0.01143 0.00837 0.00000 0.00325 0.00000 Fe3+M2 0.00755 0.00653 0.00731 0.00000 0.00200 0.00000 MgM2 0.00755 0.00653 0.00731 0.00000 0.00200 0.00000 Fe2+M2 0.00755 0.00653 0.00731 0.00000 0.00200 0.00000 AlM2 0.00755 0.00653 0.00731 0.00000 0.00200 0.00000 ZnM2 0.00755 0.00653 0.00731 0.00000 0.00200 0.00000 MgM3 0.00943 0.00653 0.00611 0.00000 0.00150 0.00000 Fe2+M3 0.00943 0.00653 0.00611 0.00000 0.00150 0.00000 MnM3 0.00943 0.00653 0.00611 0.00000 0.00150 0.00000 SiT1 0.00660 0.00653 0.00545 0.00000 0.00150 -0.00047 SiT2 0.00660 0.00653 0.00545 -0.00088 0.00175 -0.00047 O1 0.00660 0.00980 0.00851 -0.00088 0.00200 -0.00047 O2 0.00755 0.00980 0.00837 0.00000 0.00150 -0.00047 F3 0.01226 0.01143 0.01063 0.00000 0.00225 0.00000 O3 0.01226 0.01143 0.01063 0.00000 0.00225 0.00000 O4 0.01462 0.00816 0.01063 -0.00439 0.00376 -0.00047 O5 0.00896 0.01306 0.00824 0.00000 0.00300 0.00373 O6 0.01038 0.01143 0.00718 0.00000 0.00200 -0.00326 O7 0.01132 0.00653 0.01515 0.00000 0.00401 0.00000