data_global _chemical_name_mineral 'Vlasovite' loop_ _publ_author_name 'Sokolova E' 'Hawthorne F C' 'Ball N A' 'Mitchell R H' 'Della Ventura G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 44 _journal_year 2006 _journal_page_first 1349 _journal_page_last 1356 _publ_section_title ; Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada: Crystal-structure refinement and infrared spectroscopy ; _database_code_amcsd 0006128 _chemical_compound_source 'Kipawa alkaline complex, Quebec, Canada' _chemical_formula_sum 'Na2 Zr Si4 O11' _cell_length_a 11.0390 _cell_length_b 10.0980 _cell_length_c 8.5677 _cell_angle_alpha 90 _cell_angle_beta 100.313 _cell_angle_gamma 90 _cell_volume 939.628 _exptl_crystal_density_diffrn 3.008 _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 Na1 0.00000 0.07593 0.75000 1.00000 0.03040 Na2A 0.00000 0.39850 0.75000 0.82000 0.04480 Na2B 0.98510 0.43080 0.83400 0.09000 0.04480 Zr 0.25000 0.25000 0.00000 1.00000 0.01173 Si1 0.26448 0.07231 0.63875 1.00000 0.01306 Si2 0.04996 0.21676 0.42721 1.00000 0.01386 O1 0.00000 0.16001 0.25000 1.00000 0.02070 O2 0.14362 0.10274 0.50471 1.00000 0.02910 O3 0.11547 0.35857 0.41550 1.00000 0.02910 O4 0.05651 0.23057 0.97038 1.00000 0.02000 O5 0.23987 0.13443 0.80125 1.00000 0.02440 O6 0.28874 0.08336 0.14471 1.00000 0.01790 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 0.04060 0.02290 0.03080 0.00000 0.01510 0.00000 Na2A 0.02650 0.03120 0.06800 0.00000 -0.01400 0.00000 Na2B 0.02650 0.03120 0.06800 0.00000 -0.01400 0.00000 Zr 0.01314 0.01159 0.01088 0.00069 0.00323 -0.00015 Si1 0.01430 0.01230 0.01260 0.00067 0.00227 -0.00110 Si2 0.01200 0.01610 0.01350 0.00001 0.00238 -0.00019 O1 0.02650 0.02090 0.01330 0.00000 -0.00010 0.00000 O2 0.02600 0.02840 0.02810 0.01250 -0.00830 -0.00410 O3 0.02860 0.02200 0.04110 -0.01040 0.01820 -0.00700 O4 0.01560 0.02490 0.02060 0.00010 0.00650 0.00160 O5 0.03840 0.01920 0.01730 0.00060 0.00910 -0.00520 O6 0.02250 0.01280 0.01800 -0.00140 0.00220 0.00190