data_global _chemical_name_mineral 'Fluoro-riebeckite' loop_ _publ_author_name 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 16 _journal_year 1978 _journal_page_first 187 _journal_page_last 194 _publ_section_title ; The crystal chemistry of the amphiboles. VIII. The crystal structure and site chemistry of fluor-riebeckite ; _database_code_amcsd 0005155 _chemical_compound_source 'Pikes Peak, Colorado, USA' _chemical_formula_sum 'Na2.024 K.29 Ca.014 Li.344 Mn.182 Fe4.36 Al.354 Si7.76 O22.892 F1.253 H.892' _cell_length_a 9.811 _cell_length_b 18.013 _cell_length_c 5.326 _cell_angle_alpha 90 _cell_angle_beta 103.68 _cell_angle_gamma 90 _cell_volume 914.539 _exptl_crystal_density_diffrn 3.387 _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 NaAm 0.03870 0.50000 0.08330 0.01900 0.02115 KAm 0.03870 0.50000 0.08330 0.14500 0.02115 NaM4 0.00000 0.27820 0.50000 0.99300 0.01672 CaM4 0.00000 0.27820 0.50000 0.00700 0.01672 LiM3 0.00000 0.00000 0.00000 0.33600 0.00887 MnM3 0.00000 0.00000 0.00000 0.18200 0.00887 Fe2+M3 0.00000 0.00000 0.00000 0.48200 0.00887 Fe2+M1 0.00000 0.09069 0.50000 0.93000 0.00798 Fe3+M1 0.00000 0.09069 0.50000 0.06600 0.00798 LiM1 0.00000 0.09069 0.50000 0.00400 0.00798 Fe3+M2 0.00000 0.18262 0.00000 0.94300 0.00532 AlM2 0.00000 0.18262 0.00000 0.05700 0.00532 Al1 0.27960 0.08585 0.29050 0.05000 0.00646 Si1 0.27960 0.08585 0.29050 0.95000 0.00646 Al2 0.29010 0.17057 0.80150 0.01000 0.00633 Si2 0.29010 0.17057 0.80150 0.99000 0.00633 O1 0.10980 0.09130 0.20470 1.00000 0.00887 O2 0.11950 0.17230 0.73780 1.00000 0.00874 O-H3 0.11180 0.00000 0.70950 0.44600 0.01216 F3 0.11180 0.00000 0.70950 0.62650 0.01216 O4 0.36560 0.24910 0.80130 1.00000 0.01064 O5 0.34910 0.12820 0.08140 1.00000 0.01001 O6 0.33990 0.12060 0.57780 1.00000 0.01026 O7 0.33250 0.00000 0.30040 1.00000 0.01127 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 NaM4 0.02159 0.01299 0.02035 0.00000 0.01422 0.00000 CaM4 0.02159 0.01299 0.02035 0.00000 0.01422 0.00000 LiM3 0.01160 0.00723 0.00764 0.00000 0.00190 0.00000 MnM3 0.01160 0.00723 0.00764 0.00000 0.00190 0.00000 Fe2+M3 0.01160 0.00723 0.00764 0.00000 0.00190 0.00000 Fe2+M1 0.00953 0.00756 0.00712 0.00000 0.00252 0.00000 Fe3+M1 0.00953 0.00756 0.00712 0.00000 0.00252 0.00000 LiM1 0.00953 0.00756 0.00712 0.00000 0.00252 0.00000 Fe3+M2 0.00548 0.00526 0.00524 0.00000 0.00180 0.00000 AlM2 0.00548 0.00526 0.00524 0.00000 0.00180 0.00000 Al1 0.00792 0.00526 0.00619 -0.00087 0.00210 -0.00024 Si1 0.00792 0.00526 0.00619 -0.00087 0.00210 -0.00024 Al2 0.00672 0.00658 0.00615 -0.00070 0.00207 -0.00024 Si2 0.00672 0.00658 0.00615 -0.00070 0.00207 -0.00024 O1 0.00994 0.01003 0.00714 0.00009 0.00285 0.00005 O2 0.00640 0.00986 0.00974 -0.00139 0.00162 -0.00085 O-H3 0.01363 0.01101 0.01247 0.00000 0.00465 0.00000 F3 0.01363 0.01101 0.01247 0.00000 0.00465 0.00000 O4 0.01335 0.01036 0.00962 -0.00304 0.00560 -0.00189 O5 0.01017 0.01331 0.00695 -0.00043 0.00285 0.00349 O6 0.00948 0.01331 0.00821 -0.00096 0.00247 -0.00458 O7 0.01202 0.00575 0.01339 0.00000 -0.00170 0.00000