data_global _chemical_name_mineral 'Frankamenite' loop_ _publ_author_name 'Rozhdestvenskaya I V' 'Nikishova L V' 'Lazebnik K A' _journal_name_full 'Mineralogical Magazine' _journal_volume 60 _journal_year 1996 _journal_page_first 897 _journal_page_last 905 _publ_section_title ; The crystal structure of frankamenite ; _database_code_amcsd 0014522 _chemical_compound_source 'South Yukutia, Russia' _chemical_formula_sum 'K2.87 Na3.14 Ca4.86 Si12 O32.78 F2 H3.56' _cell_length_a 10.094 _cell_length_b 12.691 _cell_length_c 7.240 _cell_angle_alpha 90.00 _cell_angle_beta 111.02 _cell_angle_gamma 110.20 _cell_volume 804.336 _exptl_crystal_density_diffrn 2.647 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,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 0.00000 0.49910 0.47800 0.87000 0.04306 K2 0.31670 0.49840 0.15860 1.00000 0.02254 K3 0.68470 0.50180 0.84100 1.00000 0.02242 NaM1 0.00000 0.00000 0.00000 1.00000 0.01393 CaM2 0.00980 -0.00250 0.50780 1.00000 0.00861 NaM3 0.50810 0.00620 0.25360 0.52000 0.01140 CaM3 0.50810 0.00620 0.25360 0.48000 0.01140 NaM4 0.32950 0.15880 -0.08310 0.46000 0.01115 CaM4 0.32950 0.15880 -0.08310 0.54000 0.01115 NaM5 0.67000 0.84110 0.58700 0.30000 0.01064 CaM5 0.67000 0.84110 0.58700 0.70000 0.01064 NaM6 0.49060 -0.00690 0.74600 0.31000 0.01191 CaM6 0.49060 -0.00690 0.74600 0.69000 0.01191 NaM7 0.32950 0.15850 0.41280 0.27000 0.01229 CaM7 0.32950 0.15850 0.41280 0.73000 0.01229 NaM8 0.67040 0.84130 0.08480 0.28000 0.00925 CaM8 0.67040 0.84130 0.08480 0.72000 0.00925 Si1 0.03670 0.24680 0.80140 1.00000 0.00747 Si2 0.28880 0.75210 0.93060 1.00000 0.00823 Si3 0.27570 0.36780 0.63720 1.00000 0.00773 Si4 0.40780 0.63120 0.70310 1.00000 0.00836 Si5 0.03710 0.24610 0.23480 1.00000 0.01001 Si6 0.28900 0.75160 0.35780 1.00000 0.01001 Si7 0.96250 0.75330 0.19770 1.00000 0.00899 Si8 0.71100 0.24830 0.06900 1.00000 0.00760 Si9 0.72480 0.63220 0.36330 1.00000 0.00849 Si10 0.59190 0.36910 0.29620 1.00000 0.00887 Si11 0.96320 0.75350 0.76490 1.00000 0.00773 Si12 0.71160 0.24810 0.64200 1.00000 0.00912 O1 0.06600 0.13310 0.78000 1.00000 0.01520 O2 0.16500 0.35520 0.76600 1.00000 0.01646 O3 0.42000 0.28550 0.20800 1.00000 0.01900 O4 0.39200 0.49920 0.69700 1.00000 0.01520 O5 0.31000 0.64250 0.83600 1.00000 0.01520 O6 0.13000 0.75820 0.78200 1.00000 0.01646 O7 0.56600 0.13330 0.02500 1.00000 0.01773 O8 0.63500 0.71700 0.31600 1.00000 0.01773 O9 0.05300 0.28290 0.02800 1.00000 0.01393 O10 0.26400 0.70900 0.13200 1.00000 0.01520 O11 0.06500 0.13220 0.28400 1.00000 0.01267 O12 0.16400 0.35550 0.40100 1.00000 0.01646 O13 0.31000 0.64340 0.47700 1.00000 0.01900 O14 0.13000 0.75760 0.34900 1.00000 0.02026 O15 0.56800 0.13330 0.54000 1.00000 0.01773 O16 -0.06600 0.86680 0.21800 1.00000 0.01520 O17 0.83200 0.64470 0.23200 1.00000 0.01140 O18 0.58200 0.71270 0.79200 1.00000 0.01646 O19 0.60600 0.50090 0.30600 1.00000 0.01267 O20 0.68800 0.35610 0.16100 1.00000 0.01520 O21 0.87200 0.24500 0.22000 1.00000 0.02153 O22 0.43000 0.86580 0.96900 1.00000 0.01393 O23 0.36700 0.28530 0.68400 1.00000 0.01520 O24 -0.05400 0.71720 0.97500 1.00000 0.01267 O25 0.73700 0.29000 0.87000 1.00000 0.01393 O26 -0.06600 0.86630 0.71200 1.00000 0.01140 O27 0.83500 0.64480 0.59700 1.00000 0.01393 O28 0.69000 0.35600 0.52400 1.00000 0.01393 O29 0.87100 0.24250 0.65200 1.00000 0.01646 O30 0.43100 0.86660 0.46100 1.00000 0.01520 O-H1 0.26200 0.03100 0.63000 1.00000 0.00760 O-H2 0.73800 0.96790 0.37000 1.00000 0.01900 F1 0.27500 0.03810 0.13900 1.00000 0.02660 F2 0.72200 0.96570 0.85900 1.00000 0.02280 Wat 0.00400 0.49800 -0.03900 0.78000 0.05066