data_global _chemical_name_mineral 'Tisinalite' loop_ _publ_author_name 'Yamnova N A' 'Egorov-Tismenko Y K' 'Pekov I V' 'Shchegol'kova L V' _journal_name_full 'Crystallography Reports' _journal_volume 48 _journal_year 2003 _journal_page_first 551 _journal_page_last 556 _publ_section_title ; Crystal structure of tisinalite Na2(Mn,Ca)1-x(Ti,Zr,Nb,Fe3+)[Si6O8(O,OH)10] ; _database_code_amcsd 0012385 _chemical_compound_source 'Khibiny massif, Kola Peninsula, Russia' _chemical_formula_sum 'Na6.24 Mn1.26 Ca.38 Ti1.4 Fe.36 Zr.42 Nb.4 Si18 O54 H18' _cell_length_a 10.036 _cell_length_b 10.036 _cell_length_c 12.876 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1123.137 _exptl_crystal_density_diffrn 2.629 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-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 NaA1 0.50000 0.00000 0.50000 0.68000 0.02050 NaA2 0.33520 0.16810 0.16470 0.70000 0.04730 MnC1 0.33333 0.66667 0.91740 0.23000 0.07300 CaC1 0.33333 0.66667 0.91740 0.08000 0.07300 MnC2 0.33333 0.66667 0.42280 0.17000 0.02900 CaC2 0.33333 0.66667 0.42280 0.09000 0.02900 MnC3 0.00000 0.00000 0.75700 0.23000 0.04700 CaC3 0.00000 0.00000 0.75700 0.02000 0.04700 TiM1 0.00000 0.00000 0.00000 0.64000 0.03500 Fe3+M1 0.00000 0.00000 0.00000 0.36000 0.03500 TiM2 0.33333 0.66667 0.66670 0.38000 0.01890 ZrM2 0.33333 0.66667 0.66670 0.21000 0.01890 NbM2 0.33333 0.66667 0.66670 0.20000 0.01890 Si1 0.63850 0.81932 0.10320 1.00000 0.03140 Si2 0.84870 0.69750 0.43490 1.00000 0.02960 Si3 0.97010 0.48490 0.76790 1.00000 0.02810 O1 0.91180 0.81940 0.90920 1.00000 0.06600 O2 0.51380 0.76120 0.57580 1.00000 0.05400 O3 0.56810 0.15170 0.24400 1.00000 0.06500 O-H4 0.89670 0.78530 0.32520 1.00000 0.07700 O-H5 0.88580 0.44080 0.65730 1.00000 0.07300 O-H6 0.55090 0.77570 -0.00690 1.00000 0.06400 O7 0.73910 0.73980 0.50040 1.00000 0.07600 O8 -0.07460 0.33560 0.83440 1.00000 0.08200 O9 0.58740 0.66410 0.16720 1.00000 0.08200