data_global _chemical_name_mineral 'Zinnwaldite-2M1' loop_ _publ_author_name 'Rieder M' 'Hybler J' 'Smrcok L' 'Weiss Z' _journal_name_full 'European Journal of Mineralogy' _journal_volume 8 _journal_year 1996 _journal_page_first 1241 _journal_page_last 1248 _publ_section_title ; Refinement of the crystal structure of zinnwaldite 2M_1 ; _database_code_amcsd 0006631 _chemical_compound_source 'Barbora mine, Krupka, Czech Republic' _chemical_formula_sum 'K.978 Fe1.334 Li.486 Al1.79 Si3.11 O11.09 (F.91 H1.09)' _cell_length_a 5.292 _cell_length_b 9.187 _cell_length_c 19.935 _cell_angle_alpha 90 _cell_angle_beta 95.40 _cell_angle_gamma 90 _cell_volume 964.891 _exptl_crystal_density_diffrn 3.081 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+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 KMi 0.00000 0.08940 0.25000 0.97800 0.02710 FeM1 0.26110 0.75390 0.00000 0.59000 0.01160 LiM1 0.26110 0.75390 0.00000 0.27000 0.01160 AlM2 0.76570 0.58820 0.00010 0.90000 0.01080 FeM2 0.76570 0.58820 0.00010 0.10000 0.01080 FeM3 -0.74210 -0.58080 -0.00050 0.64400 0.01170 LiM3 -0.74210 -0.58080 -0.00050 0.21600 0.01170 SiT1 0.46290 0.92560 0.13650 0.81000 0.00950 AlT1 0.46290 0.92560 0.13650 0.19000 0.00950 SiT11 -0.46280 -0.91780 -0.13630 0.75000 0.01000 AlT11 -0.46280 -0.91780 -0.13630 0.25000 0.01000 SiT2 0.96210 0.75310 0.13710 0.79000 0.01340 AlT2 0.96210 0.75310 0.13710 0.21000 0.01340 SiT21 -0.95570 -0.75490 -0.13570 0.76000 0.00630 AlT21 -0.95570 -0.75490 -0.13570 0.24000 0.00630 O1 0.43370 0.93900 0.05450 1.00000 0.01430 O11 -0.44790 -0.91230 -0.05260 1.00000 0.00880 O2 0.93440 0.74170 0.05410 1.00000 0.00990 O21 -0.90790 -0.76350 -0.05240 1.00000 0.01160 O3 0.94660 0.58980 0.16990 1.00000 0.01970 O31 -0.93710 -0.58720 -0.16370 1.00000 0.02110 O4 0.24030 0.82400 0.16370 1.00000 0.02120 O41 -0.23210 -0.82260 -0.16400 1.00000 0.01940 O5 0.73840 0.85430 0.16440 1.00000 0.01930 O51 -0.73370 -0.85040 -0.16920 1.00000 0.01700 O-H 0.48730 0.58740 0.05070 0.54500 0.02140 F 0.48730 0.58740 0.05070 0.45500 0.02140 O-H1 -0.40200 -0.55990 -0.04970 0.54500 0.02160 F1 -0.40200 -0.55990 -0.04970 0.45500 0.02160