data_global _chemical_name_mineral 'Zirsinalite' loop_ _publ_author_name 'Pudovkina Z V' 'Chernitsova N M' 'Voronkov A A' 'Pyatenko Yu A' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 250 _journal_year 1980 _journal_page_first 865 _journal_page_last 867 _publ_section_title ; Crystal structure of zirsinalite Na6Ca{Zr(Si6O18)} ; _database_code_amcsd 0012464 _chemical_compound_source 'Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia' _chemical_formula_sum 'Na6 Ca Zr Si6 O18' _cell_length_a 10.593 _cell_length_b 10.593 _cell_length_c 10.593 _cell_angle_alpha 58.13 _cell_angle_beta 58.13 _cell_angle_gamma 58.13 _cell_volume 804.479 _exptl_crystal_density_diffrn 2.996 _symmetry_space_group_name_H-M 'R -3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2-z,1/2-y' '-z,-x,-y' '1/2+y,1/2+x,1/2+z' 'y,z,x' '1/2-z,1/2-y,1/2-x' '-x,-y,-z' '1/2+x,1/2+z,1/2+y' 'z,x,y' '1/2-y,1/2-x,1/2-z' '-y,-z,-x' '1/2+z,1/2+y,1/2+x' 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 0.50000 0.00000 0.00000 1.00000 0.01545 Na2 0.74300 0.75700 0.25000 1.00000 0.01456 Ca 0.37670 0.37670 0.37670 0.50000 0.01469 Zr 0.00000 0.00000 0.00000 1.00000 0.01178 Si 0.13070 0.13460 0.58530 1.00000 0.01178 O1 0.25500 0.29600 0.93800 1.00000 0.01659 O2 0.95000 0.23400 0.96800 1.00000 0.01684 O3 0.01300 0.48700 0.25000 1.00000 0.04192 O4 0.51800 0.98200 0.25000 1.00000 0.01570