data_global _chemical_name_mineral 'Ferri-ghoseite' loop_ _publ_author_name 'Oberti R' 'Ghose S' _journal_name_full 'European Journal of Mineralogy' _journal_volume 5 _journal_year 1993 _journal_page_first 1153 _journal_page_last 1160 _publ_section_title ; Crystal-chemistry of a complex Mn-bearing alkali amphibole ("tirodite") on the verge of exsolution ; _database_code_amcsd 0006506 _chemical_formula_sum 'Na1.168 K.03 Fe.72 Mg4.008 Li.06 Mn.948 Ca.388 Si7.88 Al.11 O23.6 F.4 H1.6' _cell_length_a 9.704 _cell_length_b 17.990 _cell_length_c 5.297 _cell_angle_alpha 90 _cell_angle_beta 103.51 _cell_angle_gamma 90 _cell_volume 899.136 _exptl_crystal_density_diffrn 3.120 _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 NaA 0.00000 0.50000 0.00000 0.10000 0.07966 KA 0.00000 0.50000 0.00000 0.01000 0.07966 NaAm 0.05590 0.50000 0.12010 0.10000 0.03230 KAm 0.05590 0.50000 0.12010 0.01000 0.03230 FeM1 0.00000 0.08810 0.50000 0.14400 0.00760 MgM1 0.00000 0.08810 0.50000 0.76800 0.00760 LiM1 0.00000 0.08810 0.50000 0.01200 0.00760 MnM1 0.00000 0.08810 0.50000 0.07600 0.00760 FeM2 0.00000 0.18020 0.00000 0.14400 0.00684 MgM2 0.00000 0.18020 0.00000 0.76800 0.00684 LiM2 0.00000 0.18020 0.00000 0.01200 0.00684 MnM2 0.00000 0.18020 0.00000 0.07600 0.00684 FeM3 0.00000 0.00000 0.00000 0.14400 0.00697 MgM3 0.00000 0.00000 0.00000 0.76800 0.00697 LiM3 0.00000 0.00000 0.00000 0.01200 0.00697 MnM3 0.00000 0.00000 0.00000 0.07600 0.00697 CaM4 0.00000 0.27170 0.50000 0.09700 0.01722 NaM4 0.00000 0.27170 0.50000 0.21700 0.01722 MnM4 0.00000 0.27170 0.50000 0.14200 0.01722 MgM4 0.00000 0.27170 0.50000 0.04200 0.01722 CaM4* 0.00000 0.25980 0.50000 0.09700 0.00912 NaM4* 0.00000 0.25980 0.50000 0.21700 0.00912 MnM4* 0.00000 0.25980 0.50000 0.14200 0.00912 MgM4* 0.00000 0.25980 0.50000 0.04200 0.00912 SiT1 0.28330 0.08500 0.28840 0.98500 0.00570 AlT1 0.28330 0.08500 0.28840 0.01370 0.00570 SiT2 0.29120 0.17070 0.79640 0.98500 0.00633 AlT2 0.29120 0.17070 0.79640 0.01370 0.00633 O1 0.11260 0.08690 0.21310 1.00000 0.00073 O2 0.11970 0.17050 0.72750 1.00000 0.00887 O3 0.11020 0.00000 0.71080 0.80000 0.00937 F 0.11020 0.00000 0.71080 0.20000 0.00937 O4 0.36700 0.24890 0.79020 1.00000 0.01241 O5 0.34970 0.13120 0.08100 1.00000 0.01064 O6 0.34500 0.11940 0.57690 1.00000 0.01127 O7 0.33980 0.00000 0.28890 1.00000 0.01153 H 0.19360 0.00000 0.75260 0.80000 0.01659 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 NaA 0.05457 0.13117 0.07391 0.00000 0.05761 0.00000 KA 0.05457 0.13117 0.07391 0.00000 0.05761 0.00000 NaAm 0.03157 0.03279 0.03790 0.00000 0.01797 0.00000 KAm 0.03157 0.03279 0.03790 0.00000 0.01797 0.00000 FeM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000 MgM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000 LiM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000 MnM1 0.00902 0.00820 0.00632 0.00000 0.00271 0.00000 FeM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000 MgM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000 LiM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000 MnM2 0.00677 0.00820 0.00632 0.00000 0.00197 0.00000 FeM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000 MgM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000 LiM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000 MnM3 0.00947 0.00492 0.00605 0.00000 0.00197 0.00000 CaM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000 NaM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000 MnM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000 MgM4 0.01714 0.02131 0.01586 0.00000 0.01034 0.00000 SiT1 0.00586 0.00492 0.00524 0.00000 0.00098 0.00000 AlT1 0.00586 0.00492 0.00524 0.00000 0.00098 0.00000 SiT2 0.00677 0.00656 0.00551 -0.00086 0.00098 0.00000 AlT2 0.00677 0.00656 0.00551 -0.00086 0.00098 0.00000 O1 0.00631 0.00984 0.00672 -0.00086 0.00148 -0.00094 O2 0.00902 0.00984 0.00806 0.00000 0.00197 -0.00047 O3 0.00857 0.00984 0.00941 0.00000 0.00271 0.00000 F 0.00857 0.00984 0.00941 0.00000 0.00271 0.00000 O4 0.01443 0.00984 0.01263 -0.00430 0.00123 0.00141 O5 0.00857 0.01476 0.00887 -0.00086 0.00246 0.00469 O6 0.00902 0.01640 0.00833 0.00000 0.00098 -0.00422 O7 0.01082 0.00656 0.01787 0.00000 0.00345 0.00000