data_global _amcsd_formula_title 'Cs2 O15 Si6 Zr' loop_ _publ_author_name 'Jolicart G' 'Leblanc M' 'Morel B' 'Dehaudt P' 'Dubois S' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 33 _journal_year 1996 _journal_page_first 647 _journal_page_last 657 _publ_section_title ; Hydrothermal synthesis and structure determination of Cs2 Zr Si6 O15 _cod_database_code 1000423 ; _database_code_amcsd 0012605 _chemical_formula_sum 'Cs2 Zr Si6 O15' _cell_length_a 26.60999 _cell_length_b 7.506 _cell_length_c 11.602 _cell_angle_alpha 90 _cell_angle_beta 107.43 _cell_angle_gamma 90 _cell_volume 2210.918 _exptl_crystal_density_diffrn 3.450 _symmetry_space_group_name_H-M 'C 1 2/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' '-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 Cs1 0.57556 0.00000 0.01298 Cs2 0.89700 0.00000 0.37209 Cs3 0.75285 0.00000 0.36099 Zr1 0.00000 0.00000 0.00000 Zr2 0.32034 0.00000 0.35804 Si1 0.62801 0.19810 0.37090 Si2 0.30620 0.19780 0.09200 Si3 0.45800 0.00000 0.36740 Si4 0.13668 0.00000 -0.00270 Si5 0.18322 0.00000 0.26780 Si6 0.51238 0.30330 0.26790 O1 0.66490 0.19720 0.50690 O2 0.39960 0.00000 0.37040 O3 0.25000 0.25000 0.00000 O4 0.00000 0.50000 0.50000 O5 0.80550 0.29700 0.22970 O6 0.65140 0.32400 0.28590 O7 0.56920 0.25960 0.36420 O8 0.62560 0.00000 0.30960 O9 0.18130 0.00000 0.12790 O10 0.35260 0.32570 0.07400 O11 0.51350 0.29950 0.13130 O12 0.32150 0.00000 0.05500 O13 0.24140 0.00000 0.35550 O14 0.99660 0.00000 0.30480 O15 0.46870 0.17100 0.29370 O16 0.07840 0.00000 0.00520 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 Cs1 0.01920 0.03210 0.02530 0.00000 0.01010 0.00000 Cs2 0.01750 0.03210 0.02470 0.00000 0.01260 0.00000 Cs3 0.01490 0.02720 0.03240 0.00000 0.00870 0.00000 Zr1 0.00610 0.00760 0.00610 0.00000 0.00230 0.00000 Zr2 0.00610 0.00660 0.00440 0.00000 0.00120 0.00000 Si1 0.01200 0.00800 0.00590 -0.00130 0.00160 0.00230 Si2 0.01070 0.01220 0.00830 -0.00240 0.00190 0.00340 Si3 0.00530 0.00500 0.01000 0.00000 0.00220 0.00000 Si4 0.00580 0.00600 0.00400 0.00000 0.00210 0.00000 Si5 0.00570 0.01000 0.00400 0.00000 0.00160 0.00000 Si6 0.01180 0.00830 0.00900 -0.00110 0.00240 0.00220 O1 0.01600 0.01100 0.01200 -0.00100 0.00300 0.00300 O2 0.01100 0.03400 0.01700 0.00000 0.00700 0.00000 O3 0.01200 0.03300 0.01500 0.00000 -0.00300 0.00800 O4 0.01300 0.02500 0.02000 0.00000 0.00000 0.00000 O5 0.02500 0.01300 0.00700 -0.00100 0.00300 -0.00400 O6 0.03800 0.02700 0.01300 -0.02200 0.00000 0.00400 O7 0.01300 0.02500 0.01700 0.00800 0.00300 0.00200 O8 0.02500 0.01200 0.01100 0.00000 0.00800 0.00000 O9 0.00800 0.02600 0.00500 0.00000 0.00500 0.00000 O10 0.01300 0.03700 0.03000 -0.00900 -0.00400 0.02200 O11 0.02100 0.01300 0.00700 0.00100 0.00300 0.00300 O12 0.01900 0.01700 0.01000 0.00000 0.00500 0.00000 O13 0.01000 0.04100 0.01500 0.00000 0.00500 0.00000 O14 0.01600 0.00700 0.01200 0.00000 0.00700 0.00000 O15 0.02300 0.02500 0.01600 -0.01200 0.00300 0.01100 O16 0.01200 0.02600 0.01500 0.00000 0.00700 0.00000