data_global _chemical_name_mineral 'Kukisvumite' loop_ _publ_author_name 'Merlino S' 'Pasero M' 'Ferro O' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 215 _journal_year 2000 _journal_page_first 352 _journal_page_last 356 _publ_section_title ; The crystal structure of kukisvumite, Na6ZnTi4(Si2O6)4O4*4H2O ; _database_code_amcsd 0011086 _chemical_compound_source 'Kukisvumtschorr deposit, Khibiny alkaline massif, Kola peninsula, Russia' _chemical_formula_sum 'Na3 Zn.5 Ti2 Si4 O16 H4' _cell_length_a 29.029 _cell_length_b 8.595 _cell_length_c 5.209 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1299.668 _exptl_crystal_density_diffrn 2.912 _symmetry_space_group_name_H-M 'P c c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-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 Na1 0.58400 0.06150 0.62300 1.00000 0.01500 Na2 0.75000 0.59100 0.78600 0.50000 0.03100 Zn 0.75000 0.25000 0.79100 0.50000 0.02400 Ti 0.58300 0.84500 0.13220 1.00000 0.00550 Si1 0.48630 0.84180 0.78870 1.00000 0.00500 Si2 0.65570 0.14840 0.05140 1.00000 0.00700 O1 0.46520 0.76300 0.05000 1.00000 0.00900 O2 0.46410 0.01100 0.75400 1.00000 0.00700 O3 0.62230 0.00000 0.00600 1.00000 0.00900 O4 0.79170 0.10800 0.53900 1.00000 0.02200 O5 0.88790 0.82000 0.93900 1.00000 0.00600 O6 0.63980 0.27400 0.82500 1.00000 0.01100 O7 0.54200 0.83300 0.79300 1.00000 0.00700 Ow1 0.79220 0.85100 0.93400 0.50000 0.01600 Ow2 0.79650 0.84900 0.12800 0.50000 0.02500 H1 0.79200 0.93000 0.80000 0.50000 0.05000 H2 0.82500 0.81000 0.94000 0.50000 0.05000 H3 0.79700 0.95000 0.24000 0.50000 0.05000 H4 0.82800 0.85000 0.04000 0.50000 0.05000 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 Na1 0.02000 0.01200 0.01300 -0.00100 -0.00100 -0.00100 Na2 0.03000 0.04200 0.02200 -0.00900 0.00700 -0.00100 Zn 0.02400 0.02500 0.02200 0.00100 0.00000 0.00000 Ti 0.00800 0.00500 0.00400 0.00100 0.00000 0.00100 Si1 0.00400 0.00500 0.00600 0.00200 0.00000 -0.00100 Si2 0.00600 0.00700 0.00800 0.00100 -0.00100 0.00000 O1 0.00400 0.01100 0.01000 -0.00300 -0.00300 0.00300 O2 0.00800 0.00300 0.01200 0.00200 -0.00500 -0.00300 O3 0.00600 0.01300 0.00900 0.00100 0.00500 0.00100 O4 0.00700 0.00900 0.05000 0.00600 0.00200 -0.00100 O5 0.00400 0.00700 0.00600 -0.00200 0.00000 0.00100 O6 0.01000 0.00900 0.01400 0.00200 0.00100 0.00900 O7 0.00600 0.00600 0.00800 -0.00500 0.00200 -0.00100 Ow1 0.00400 0.02300 0.02100 -0.00700 0.00300 0.00800 Ow2 0.00900 0.03900 0.02700 0.00300 -0.00500 -0.01700