data_global _chemical_name_mineral 'Thomsonite-Sr' loop_ _publ_author_name 'Gurbanova O A' 'Rastsvetaeva R K' 'Pekov I V' 'Turchkova A G' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 376 _journal_year 2001 _journal_page_first 387 _journal_page_last 390 _publ_section_title ; Crystal structure of strontium-rich thomsonite ; _database_code_amcsd 0012495 _chemical_compound_source 'Khibiny alkaline massif, Kola peninsula, Russia' _chemical_formula_sum 'Na1.2 Ca1.28 Sr.52 Si5.2 Al4.8 O26 H12' _cell_length_a 13.050 _cell_length_b 13.123 _cell_length_c 13.241 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2267.589 _exptl_crystal_density_diffrn 2.426 _symmetry_space_group_name_H-M 'P c n n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '-x,y,1/2+z' 'x,-y,1/2-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 NaM 0.50610 0.05780 0.36130 0.60000 0.01469 CaM 0.50610 0.05780 0.36130 0.40000 0.01469 Sr 0.50000 0.50000 0.50000 0.52000 0.02102 Ca 0.03160 0.00300 0.00200 0.24000 0.02533 Si1 0.25000 0.25000 0.69060 1.00000 0.00836 Si2 0.30440 0.11280 0.00240 1.00000 0.00697 Si3 0.38410 0.30620 0.37540 1.00000 0.01140 Al1 0.75000 0.25000 0.68740 0.96000 0.01393 SiAl1 0.75000 0.25000 0.68740 0.04000 0.01393 Al2 0.30380 0.12020 0.49310 0.96000 0.01456 SiAl2 0.30380 0.12020 0.49310 0.04000 0.01456 Al3 0.62340 0.30940 0.38260 0.96000 0.01102 SiAl3 0.62340 0.30940 0.38260 0.04000 0.01102 O1 0.31420 0.16860 0.61850 1.00000 0.02026 O2 0.69670 0.15850 0.61330 1.00000 0.01520 O3 0.32990 0.31900 0.75650 1.00000 0.01646 O4 0.65700 0.30340 0.76250 1.00000 0.01013 O5 0.36040 0.00490 0.49600 1.00000 0.01393 O6 0.63110 0.18230 0.42390 1.00000 0.02406 O7 0.38520 0.18890 0.41860 1.00000 0.01267 O8 0.81470 0.10390 0.45980 1.00000 0.02153 O9 0.17990 0.11960 0.45330 1.00000 0.01520 O10 0.99530 0.14720 0.88160 1.00000 0.01267 Wat1 0.50700 0.12590 0.18770 1.00000 0.02913 Wat2 0.00800 0.11230 0.14340 1.00000 0.03546 Wat3 0.65180 0.00000 0.75000 1.00000 0.02786 Wat4 0.34380 0.00000 0.75000 1.00000 0.04306