data_global _chemical_name_mineral 'Lovozerite' loop_ _publ_author_name 'Ilyukhin V V' 'Belov N V' _journal_name_full 'Soviet Physics Crystallography' _journal_volume 5 _journal_year 1960 _journal_page_first 186 _journal_page_last 198 _publ_section_title ; Derivation of the structure of lovozerite from sections of the three-dimensional Patterson function ; _database_code_amcsd 0015541 _chemical_formula_sum 'Zr Si6 O18.5 Na2.5 H.5' _cell_length_a 10.48 _cell_length_b 10.2 _cell_length_c 7.33 _cell_angle_alpha 90 _cell_angle_beta 92.5 _cell_angle_gamma 90 _cell_volume 782.802 _exptl_crystal_density_diffrn 2.604 _symmetry_space_group_name_H-M 'C 1 2 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' 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 Zr 0.00000 0.00000 0.00000 1.00000 0.02216 Si1 0.21100 0.49500 0.26500 1.00000 0.02216 Si2 0.49500 0.23200 0.70900 1.00000 0.02216 Si3 0.48000 0.78200 0.70900 1.00000 0.02216 O1 0.18800 0.02000 0.89300 1.00000 0.02216 O2 0.27000 0.49500 0.47000 1.00000 0.02216 O3 0.37100 0.13500 0.74000 1.00000 0.02216 O4 0.37500 0.87000 0.78000 1.00000 0.02216 O5 0.62800 0.17000 0.75400 1.00000 0.02216 O6 0.61000 0.84000 0.81300 1.00000 0.02216 O7 0.50000 0.27500 0.50000 1.00000 0.02216 O8 0.50000 0.74500 0.50000 1.00000 0.02216 O9 0.04000 0.85500 0.17600 1.00000 0.02216 O10 0.06600 0.13500 0.19600 1.00000 0.02216 Na1 0.24800 0.24600 0.00000 1.00000 0.02216 Na2 0.00000 0.01500 0.50000 0.50000 0.02216 O-H2 0.00000 0.01500 0.50000 0.50000 0.02216