data_global _chemical_name_mineral 'Fluorcanasite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Rozenberg K A' 'Khomyakov A P' 'Rozhdestvenskaya I V' _journal_name_full 'Doklady Chemistry' _journal_volume 391 _journal_year 2003 _journal_page_first 177 _journal_page_last 180 _publ_section_title ; Crystal structure of F-canasite ; _database_code_amcsd 0012509 _chemical_compound_source 'Khibiny alkaline massif, Kola Peninsula, Russia' _chemical_formula_sum 'K3 Ca4.6 Mn.4 Na3 Si12 O32.25 F2.75 H3.25' _cell_length_a 18.846 _cell_length_b 7.242 _cell_length_c 12.650 _cell_angle_alpha 90 _cell_angle_beta 111.84 _cell_angle_gamma 90 _cell_volume 1602.589 _exptl_crystal_density_diffrn 2.696 _symmetry_space_group_name_H-M 'C 1 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' 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 K1 0.15700 0.00000 0.49880 1.00000 0.02800 K2 0.34220 0.50000 0.49970 1.00000 0.03000 K3a -0.00160 0.50000 0.50500 0.76000 0.04500 K3b 0.51100 0.00000 0.55800 0.24000 0.07000 Ca1 0.24560 0.50000 -0.00320 0.85000 0.01300 Mn1 0.24560 0.50000 -0.00320 0.15000 0.01300 Ca2 0.16080 0.24750 0.15520 0.87500 0.00660 Mn2 0.16080 0.24750 0.15520 0.12500 0.00660 Ca3 0.00020 0.50000 -0.00050 1.00000 0.01610 NaM 0.33210 0.24900 0.84180 0.50000 0.01270 CaM 0.33210 0.24900 0.84180 0.50000 0.01270 Na1 0.00000 0.00000 0.00000 1.00000 0.00510 Na2 0.24980 0.00000 0.00470 1.00000 0.01000 Si1 0.01730 0.23820 0.24740 1.00000 0.02230 Si2 0.14330 0.22860 0.75200 1.00000 0.01750 Si3 0.13610 0.50000 0.36790 1.00000 0.00300 Si4 0.20160 0.50000 0.63090 1.00000 0.00170 Si5 0.35430 0.28710 0.24900 1.00000 0.00820 Si6 0.29310 0.00000 0.36710 1.00000 0.01700 Si7 0.35990 0.00000 0.63180 1.00000 0.01500 Si8 0.47980 0.28690 0.75130 1.00000 0.01000 O1 0.02990 0.25300 0.13320 1.00000 0.01000 O2 0.08070 0.32200 0.35460 1.00000 0.00900 O3 0.20090 0.00000 0.28260 1.00000 0.02500 O4 0.19790 0.50000 0.49770 1.00000 0.01500 O5 0.15170 0.31420 0.64090 1.00000 0.00500 O6 0.06060 0.28810 0.75290 1.00000 0.01500 O7 0.28350 0.25700 0.13020 1.00000 0.00400 O8 0.21600 0.24600 0.86060 1.00000 0.02900 O9 0.43070 0.22800 0.23840 1.00000 0.02800 O10 0.34350 0.17500 0.35630 1.00000 0.02800 O11 0.32810 0.00000 0.49690 1.00000 0.02300 O12 0.30690 0.00000 0.71360 1.00000 0.01900 O13 0.41510 0.17870 0.64000 1.00000 0.02100 O14 0.46340 0.24700 0.85500 1.00000 0.01800 O15 0.17740 0.50000 0.28060 1.00000 0.01400 O16 0.28580 0.50000 0.71100 1.00000 0.02300 O17 0.02730 0.00000 0.28650 1.00000 0.00600 O18 0.13160 0.00000 0.70890 1.00000 0.00500 O19 0.36550 0.50000 0.28920 1.00000 0.02600 O20 0.46970 0.50000 0.70670 1.00000 0.02300 F1 0.13240 0.00000 0.02860 1.00000 0.01400 F2 0.36740 0.00000 0.96690 1.00000 0.02500 F 0.35900 0.50000 0.95800 0.75000 0.02800 O-H 0.35900 0.50000 0.95800 0.25000 0.02800 O-H1 0.12730 0.50000 0.02420 1.00000 0.02400 Wat -0.00300 0.00000 0.50200 1.00000 0.02600