data_global _chemical_name_mineral 'Faizievite' loop_ _publ_author_name 'Uvarova Yu A' 'Sokolova E' 'Hawthorne F C' 'Agakhanov A A' 'Pautov L A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 163 _journal_page_last 171 _publ_section_title ; The crystal chemistry of faizievite, K2Li6Na(Ca6Na)Ti4[Si6O18]2[Si12O30]F2, a novel structure based on intercalated blocks of the baratovite and berezanskite structures ; _database_code_amcsd 0006162 _chemical_compound_source 'Dara-i-Poiz glacier, Alai mountain ridge, Tien-Shan Mountains, Tajikistan' _chemical_formula_sum 'Li6 (K1.93 Ba.04 Rb.03) Na2.39 Ca6.16 Sr.17 Ti4 Si24 O66.37 F1.63' _cell_length_a 9.8156 _cell_length_b 9.8249 _cell_length_c 17.3087 _cell_angle_alpha 99.209 _cell_angle_beta 94.670 _cell_angle_gamma 119.839 _cell_volume 1403.743 _exptl_crystal_density_diffrn 2.839 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-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 Li1 0.08060 0.10150 0.21290 1.00000 0.01140 Li2 -0.41280 -0.39920 0.21430 1.00000 0.01280 Li3 -0.42250 0.09520 0.21190 1.00000 0.01400 KA1 0.91460 0.39240 0.77450 0.96500 0.02490 BaA1 0.91460 0.39240 0.77450 0.02000 0.02490 RbA1 0.91460 0.39240 0.77450 0.01500 0.02490 NaA2 0.33370 0.16760 0.00320 0.86000 0.03500 CaM1 0.28840 0.35430 0.49983 1.00000 0.00740 CaM2 0.14890 0.93470 0.51649 0.93500 0.00840 SrM2 0.14890 0.93470 0.51649 0.06500 0.00840 CaM3 0.42590 0.78670 0.50910 0.78000 0.00900 NaM3 0.42590 0.78670 0.50910 0.20000 0.00900 SrM3 0.42590 0.78670 0.50910 0.02000 0.00900 CaM4 0.00000 0.50000 0.50000 0.73000 0.01100 NaM4 0.00000 0.50000 0.50000 0.27000 0.01100 Ti1 0.41530 0.26950 0.21637 1.00000 0.00240 Ti2 -0.25250 -0.06510 0.21454 1.00000 0.00330 Si1 0.76180 0.41990 0.33830 1.00000 0.00620 Si2 0.50770 0.09790 0.66250 1.00000 0.00580 Si3 0.39740 0.66390 0.09320 1.00000 0.00660 Si4 0.37300 0.53840 0.33920 1.00000 0.00590 Si5 0.15520 0.30310 0.09320 1.00000 0.00680 Si6 0.25160 0.02910 0.34030 1.00000 0.00610 Si7 0.67210 0.42250 0.09240 1.00000 0.00680 Si8 -0.11300 -0.21570 0.33920 1.00000 0.00580 Si9 0.27570 -0.09530 0.09350 1.00000 0.00730 Si10 0.00890 0.29560 0.33780 1.00000 0.00620 Si11 -0.20750 0.18110 0.09210 1.00000 0.00660 Si12 0.91320 0.78400 0.09250 1.00000 0.00690 O1 0.59930 0.28690 0.27510 1.00000 0.00900 O2 0.45390 0.46860 0.27890 1.00000 0.00910 O3 -0.23450 -0.19660 0.27950 1.00000 0.00950 O4 -0.06490 0.12550 0.27440 1.00000 0.00940 O5 0.27230 0.14500 0.27960 1.00000 0.00860 O6 0.22310 0.22780 0.14830 1.00000 0.00920 O7 0.54310 0.40170 0.14630 1.00000 0.01060 O8 0.39660 0.07830 0.14800 1.00000 0.00860 O9 -0.38830 -0.02810 0.27610 1.00000 0.00780 O10 -0.11010 -0.08570 0.14690 1.00000 0.01080 O11 -0.29320 0.05620 0.14510 1.00000 0.01140 O12 -0.43350 -0.26760 0.14750 1.00000 0.01010 O13 0.26090 0.56860 0.57080 1.00000 0.01440 O14 0.83210 0.59500 0.31500 1.00000 0.01080 O15 0.89940 0.37580 0.32510 1.00000 0.01470 O16 0.41940 0.02160 0.57130 1.00000 0.01300 O17 0.64790 0.05750 0.68200 1.00000 0.00990 O18 0.59900 0.29410 0.68170 1.00000 0.01240 O19 0.41040 0.63810 0.00010 1.00000 0.02270 O20 0.26770 0.49660 0.11220 1.00000 0.01680 O21 0.32700 0.78100 0.11340 1.00000 0.01640 O22 0.44010 0.56550 0.43140 1.00000 0.01420 O23 0.17910 0.41890 0.31570 1.00000 0.00940 O24 0.13870 0.22790 0.00020 1.00000 0.02160 O25 -0.01520 0.26970 0.11160 1.00000 0.01760 O26 0.30220 0.12210 0.43260 1.00000 0.01190 O27 0.06580 -0.12110 0.31860 1.00000 0.01200 O28 0.81450 0.60890 0.11180 1.00000 0.01740 O29 0.75940 0.32590 0.11200 1.00000 0.01800 O30 0.09620 -0.16850 0.11190 1.00000 0.01820 O31 0.11250 0.15780 0.56840 1.00000 0.01150 O32 0.27140 -0.09020 0.00090 1.00000 0.02280 O33 0.03060 0.28190 0.42800 1.00000 0.01390 F 0.17390 0.72330 0.45330 0.81500 0.02090 O 0.17390 0.72330 0.45330 0.18500 0.02090 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 Li1 0.00180 0.01440 0.02450 0.00730 0.00410 0.00920 Li2 0.01030 0.01270 0.00930 0.00130 0.00750 0.00080 Li3 0.02000 0.01190 0.01930 0.01330 0.00490 0.00890 KA1 0.01990 0.02280 0.03420 0.01210 0.00650 0.00810 BaA1 0.01990 0.02280 0.03420 0.01210 0.00650 0.00810 RbA1 0.01990 0.02280 0.03420 0.01210 0.00650 0.00810 CaM1 0.00720 0.00750 0.00910 0.00470 26.00000 0.00250 CaM2 0.00590 0.00750 0.01160 0.00320 0.00160 0.00240 SrM2 0.00590 0.00750 0.01160 0.00320 0.00160 0.00240 CaM3 0.00760 0.00940 0.01030 0.00500 0.00150 0.00080 NaM3 0.00760 0.00940 0.01030 0.00500 0.00150 0.00080 SrM3 0.00760 0.00940 0.01030 0.00500 0.00150 0.00080 CaM4 0.00840 0.00980 0.01500 0.00570 0.00120 0.00030 NaM4 0.00840 0.00980 0.01500 0.00570 0.00120 0.00030 Ti1 0.00190 0.00260 0.00280 0.00140 0.00000 0.00060 Ti2 0.00190 0.00320 0.00510 0.00160 0.00050 0.00120 Si1 0.00580 0.00570 0.00680 0.00390 -0.00100 -0.00130 Si2 0.00690 0.00660 0.00730 0.00550 0.00270 0.00220 Si3 0.00670 0.00700 0.00660 0.00410 -0.00090 0.00140 Si4 0.00550 0.00390 0.00800 0.00240 0.00190 0.00080 Si5 0.00560 0.00810 0.00700 0.00330 0.00050 0.00330 Si6 0.00540 0.00610 0.00780 0.00340 0.00190 0.00240 Si7 0.00820 0.00650 0.00670 0.00430 0.00290 0.00140 Si8 0.00470 0.00500 0.00750 0.00200 0.00190 0.00210 Si9 0.00730 0.00820 0.00650 0.00490 0.00000 -0.00090 Si10 0.00360 0.00730 0.00720 0.00290 0.00100 0.00000 Si11 0.00690 0.00830 0.00660 0.00520 0.00150 0.00220 Si12 0.00620 0.00660 0.00610 0.00260 0.00180 -0.00100 O1 0.00300 0.00910 0.01360 0.00250 -0.00160 0.00320 O2 0.00950 0.00780 0.01180 0.00580 0.00570 0.00080 O3 0.00510 0.00770 0.01440 0.00180 -0.00140 0.00660 O4 0.00440 0.00640 0.01310 0.00150 -0.00050 -0.00270 O5 0.00980 0.01150 0.00940 0.00780 0.00500 0.00590 O6 0.01020 0.00880 0.01080 0.00490 0.00290 0.00740 O7 0.01350 0.00890 0.01020 0.00670 0.00370 0.00030 O8 0.00440 0.00440 0.01240 -0.00010 -0.00070 -0.00070 O9 0.00690 0.00910 0.01340 0.00620 0.00810 0.00750 O10 0.00810 0.01240 0.01270 0.00660 0.00270 0.00000 O11 0.01100 0.00920 0.01670 0.00610 0.00590 0.00530 O12 0.00630 0.00570 0.01540 0.00190 -0.00310 0.00140 O13 0.01580 0.01480 0.00960 0.00560 0.00150 0.00430 O14 0.01100 0.00590 0.01630 0.00350 0.00530 0.00650 O15 0.01250 0.01550 0.02670 0.01390 0.00500 0.00830 O16 0.01320 0.01710 0.00920 0.00870 0.00240 0.00120 O17 0.01140 0.01380 0.01340 0.01200 0.00700 0.00420 O18 0.01320 0.00560 0.01850 0.00480 0.00180 0.00410 O19 0.02390 0.02960 0.00860 0.01160 -0.00100 -0.00040 O20 0.01260 0.00680 0.02740 0.00140 0.00020 0.00920 O21 0.01620 0.01130 0.02070 0.00810 -0.00020 -0.00060 O22 0.01950 0.01680 0.00850 0.01150 0.00200 0.00130 O23 0.00130 0.00960 0.01410 0.00060 0.00200 0.00230 O24 0.03290 0.03500 0.00430 0.02350 0.00290 0.00240 O25 0.01170 0.02420 0.02230 0.01300 0.00370 0.00590 O26 0.01020 0.01330 0.01180 0.00730 -0.00080 -0.00050 O27 0.00570 0.01020 0.01780 0.00240 0.00360 0.00290 O28 0.01580 0.01040 0.02400 0.00380 0.00870 0.00720 O29 0.02130 0.02020 0.02810 0.01890 0.01310 0.01210 O30 0.00800 0.01740 0.02590 0.00550 0.00400 -0.00020 O31 0.01480 0.01530 0.00540 0.00850 0.00250 0.00250 O32 0.03040 0.02140 0.00710 0.00860 -0.00110 -0.00120 O33 0.01550 0.01370 0.01040 0.00560 0.00040 0.00500 F 0.01950 0.02430 0.02020 0.01300 0.00390 0.00290 O 0.01950 0.02430 0.02020 0.01300 0.00390 0.00290