data_global _chemical_name_mineral 'Zeravshanite' loop_ _publ_author_name 'Uvarova Y A' 'Sokolova E V' 'Hawthorne F C' 'Pautov L A' 'Agakhanov A A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 125 _journal_page_last 134 _publ_section_title ; A novel (Si18O45)18- sheet in the crystal structure of zeravshanite, Cs4Na2Zr3(Si18O45)(H2O)2 ; _database_code_amcsd 0005930 _chemical_formula_sum 'Na2.18 Cs3.8 K.02 Zr2.73 Ti.19 Fe.04 Sn.04 Si18 O47 H4' _cell_length_a 26.3511 _cell_length_b 7.5464 _cell_length_c 22.9769 _cell_angle_alpha 90 _cell_angle_beta 107.237 _cell_angle_gamma 90 _cell_volume 4363.882 _exptl_crystal_density_diffrn 3.170 _symmetry_space_group_name_H-M 'C 1 2/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' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Na 0.25296 0.19070 0.23718 1.00000 0.03750 CsA1 0.11036 0.48491 0.31362 0.95500 0.02310 NaA1 0.11036 0.48491 0.31362 0.04500 0.02310 CsA2 0.07532 0.00166 0.50643 0.94500 0.02660 NaA2 0.07532 0.00166 0.50643 0.04500 0.02660 KA2 0.07532 0.00166 0.50643 0.01000 0.02660 ZrM1 0.17912 -0.00648 0.32024 0.91000 0.00890 TiM1 0.17912 -0.00648 0.32024 0.07000 0.00890 FeM1 0.17912 -0.00648 0.32024 0.02000 0.00890 ZrM2 0.00000 0.50000 0.50000 0.91000 0.00850 SnM2 0.00000 0.50000 0.50000 0.04000 0.00850 TiM2 0.00000 0.50000 0.50000 0.05000 0.00850 Si1 0.04249 -0.00854 0.31620 1.00000 0.00970 Si2 -0.00924 0.68043 0.36302 1.00000 0.01090 Si3 0.13751 0.49717 0.49844 1.00000 0.01010 Si4 0.12536 0.78656 0.18612 1.00000 0.01130 Si5 0.12873 0.17752 0.18188 1.00000 0.01170 Si6 -0.01291 0.29072 0.36739 1.00000 0.01050 Si7 0.18290 0.48317 0.13367 1.00000 0.01090 Si8 0.19452 0.19610 0.45256 1.00000 0.01150 Si9 0.19345 0.80347 0.45413 1.00000 0.01210 O1 0.03541 0.80410 0.34790 1.00000 0.01750 O2 0.00615 0.48020 0.34700 1.00000 0.01500 O3 0.12111 0.97850 0.15214 1.00000 0.01640 O4 0.00000 0.00530 0.25000 1.00000 0.02020 O5 0.02927 0.14650 0.35890 1.00000 0.01780 O6 0.15326 0.29640 0.13820 1.00000 0.01900 O7 0.16780 0.17640 0.24980 1.00000 0.01480 O8 0.25862 -0.01780 0.31938 1.00000 0.01570 O9 0.06632 0.72670 0.18600 1.00000 0.01740 O10 0.16334 0.79710 0.25460 1.00000 0.01370 O11 0.07111 0.25260 0.18100 1.00000 0.01780 O12 0.10194 0.01070 0.31440 1.00000 0.01740 O13 0.14828 0.64480 0.14860 1.00000 0.02330 O14 0.18302 0.49360 0.56416 1.00000 0.01470 O15 0.25000 0.75000 0.50000 1.00000 0.02570 O16 0.14702 0.67570 0.46390 1.00000 0.02020 O17 0.14826 0.33050 0.45897 1.00000 0.01850 O18 0.17815 0.00130 0.47190 1.00000 0.01870 O19 0.19696 0.19330 0.38368 1.00000 0.01450 O20 0.19362 0.80070 0.38480 1.00000 0.01720 O21 0.25000 0.25000 0.50000 1.00000 0.02420 O22 0.07918 0.48930 0.50360 1.00000 0.01845 O23 -0.01509 0.29450 0.43600 1.00000 0.01520 O24 -0.01099 0.69380 0.43170 1.00000 0.01610 Ow25 0.25010 -0.02170 0.15900 1.00000 0.08850 H1 0.23700 -0.06900 0.18200 1.00000 0.10615 H2 0.26100 -0.11000 0.13200 1.00000 0.10615 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 Na 0.01700 0.04810 0.04490 -0.00420 0.00570 0.02260 CsA1 0.02220 0.02390 0.02550 0.00270 0.01070 0.00340 NaA1 0.02220 0.02390 0.02550 0.00270 0.01070 0.00340 CsA2 0.02190 0.03270 0.02750 0.00090 0.01110 0.00350 NaA2 0.02190 0.03270 0.02750 0.00090 0.01110 0.00350 KA2 0.02190 0.03270 0.02750 0.00090 0.01110 0.00350 ZrM1 0.00810 0.01000 0.00840 0.00010 0.00230 -0.00020 TiM1 0.00810 0.01000 0.00840 0.00010 0.00230 -0.00020 FeM1 0.00810 0.01000 0.00840 0.00010 0.00230 -0.00020 ZrM2 0.00750 0.00950 0.00880 0.00000 0.00300 -0.00040 SnM2 0.00750 0.00950 0.00880 0.00000 0.00300 -0.00040 TiM2 0.00750 0.00950 0.00880 0.00000 0.00300 -0.00040 Si1 0.00880 0.01010 0.01030 0.00020 0.00320 -0.00010 Si2 0.01020 0.01030 0.01180 0.00090 0.00270 0.00160 Si3 0.00840 0.01110 0.01070 0.00030 0.00270 -0.00030 Si4 0.00970 0.01120 0.01210 0.00020 0.00220 -0.00110 Si5 0.01050 0.01100 0.01250 -0.00110 0.00160 0.00100 Si6 0.00990 0.01020 0.01160 -0.00060 0.00350 -0.00160 Si7 0.01010 0.01230 0.00990 -0.00040 0.00270 -0.00020 Si8 0.00980 0.01220 0.01220 0.00010 0.00290 -0.00210 Si9 0.01070 0.01230 0.01270 -0.00020 0.00270 0.00220 O1 0.01360 0.01440 0.02540 -0.00160 0.00740 0.00710 O2 0.01660 0.01110 0.02090 -0.00060 0.01110 0.00090 O3 0.02370 0.01080 0.01230 -0.00140 0.00180 0.00100 O4 0.01650 0.02780 0.01320 0.00000 -0.00010 0.00000 O5 0.01740 0.01670 0.01830 0.00640 0.00370 -0.00520 O6 0.02140 0.02020 0.01550 -0.00850 0.00560 0.00110 O7 0.01380 0.01360 0.01570 -0.00160 0.00240 -0.00100 O8 0.01110 0.02120 0.01360 0.00080 0.00170 0.00010 O9 0.01110 0.02330 0.01670 -0.00430 0.00260 -0.00290 O10 0.01020 0.01450 0.01460 -0.00070 0.00080 0.00020 O11 0.01070 0.02510 0.01530 0.00260 0.00010 0.00170 O12 0.01130 0.02090 0.02130 -0.00040 0.00680 0.00160 O13 0.02310 0.02300 0.02280 0.00750 0.00550 -0.00730 O14 0.01250 0.02100 0.01030 0.00180 0.00280 -0.00130 O15 0.01530 0.03270 0.02410 -0.00080 -0.00170 0.01320 O16 0.01580 0.01880 0.02430 -0.00280 0.00350 0.00780 O17 0.01360 0.02200 0.01740 0.00550 0.00110 -0.00740 O18 0.02830 0.01210 0.02020 -0.00020 0.01390 0.00040 O19 0.01610 0.01500 0.01270 -0.00060 0.00470 -0.00090 O20 0.02110 0.01470 0.01590 -0.00060 0.00560 -0.00010 O21 0.01170 0.03450 0.02180 0.00010 -0.00210 -0.00990 O22 0.01050 0.02510 0.02110 -0.00040 0.00690 -0.00130 O23 0.01890 0.01420 0.01290 -0.00150 0.00510 0.00010 O24 0.02120 0.01450 0.01290 0.00150 0.00540 0.00080 Ow25 0.05950 0.13400 0.07000 0.04100 0.01620 -0.03540