data_global _chemical_name_mineral 'Tsepinite-K' loop_ _publ_author_name 'Rosenberg K A' 'Rastsvetaeva R K' 'Pekov I V' 'Chukanov N V' 'Verin I A' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 393 _journal_year 2003 _journal_page_first 784 _journal_page_last 787 _publ_section_title ; Crystal structure of Sr-rich tsepinite ; _database_code_amcsd 0012497 _chemical_formula_sum 'K.42 Na.2 Ca.2 (Ti2.8 Nb1.2) Sr.64 Si8 O32.02 Ba.14 H8.04' _cell_length_a 14.490 _cell_length_b 14.23 _cell_length_c 7.881 _cell_angle_alpha 90 _cell_angle_beta 117.28 _cell_angle_gamma 90 _cell_volume 1444.267 _exptl_crystal_density_diffrn 2.518 _symmetry_space_group_name_H-M 'C 1 m 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 K 0.49900 0.19100 -0.00600 0.21000 0.03300 Na 0.45200 0.14100 0.82500 0.10000 0.01400 Ca 0.45200 0.14100 0.82500 0.10000 0.01400 Ti1 0.00000 0.24060 0.50000 0.70000 0.02490 Nb1 0.00000 0.24060 0.50000 0.30000 0.02490 Ti2 0.24270 0.24770 0.48250 0.70000 0.02960 Nb2 0.24270 0.24770 0.48250 0.30000 0.02960 Sr1 0.00060 0.00000 0.47300 0.20000 0.01800 Sr2 0.24600 0.00000 0.48600 0.14000 0.02700 Sr3 0.92060 0.24010 -0.00400 0.15000 0.03800 Si1 0.19910 0.10980 0.78330 1.00000 0.01000 Si2 0.79790 0.11050 0.19780 1.00000 0.02500 Si3 0.30850 0.10880 0.22110 1.00000 0.01900 Si4 0.68460 0.11100 0.74670 1.00000 0.01400 O1 0.24400 0.12860 0.00800 1.00000 0.03700 O2 0.76100 0.13200 0.98100 1.00000 0.05800 O3 0.26660 0.16040 0.70000 1.00000 0.02900 O4 0.72630 0.17410 0.27300 1.00000 0.03900 O5 0.09930 0.23980 0.38900 1.00000 0.00800 O6 0.90400 0.23600 0.59300 1.00000 0.06100 O7 0.19800 0.00000 0.74200 1.00000 0.08700 O8 0.77600 0.00000 0.21900 1.00000 0.02800 O9 0.42330 0.15800 0.30500 1.00000 0.05100 O10 0.58320 0.17560 0.69100 1.00000 0.02800 O11 0.25100 0.13200 0.34200 1.00000 0.05200 O12 0.74990 0.14630 0.64600 1.00000 0.03000 O13 0.32200 0.00000 0.25000 1.00000 0.12000 O14 0.65450 0.00000 0.72800 1.00000 0.01200 O15 0.08490 0.13080 0.66100 1.00000 0.01800 O16 0.92040 0.14800 0.30900 1.00000 0.06600 Ba1 0.44200 0.00000 0.69600 0.04000 0.07500 Wat1 0.44200 0.00000 0.69600 0.34000 0.07500 Ba2 0.58600 0.00000 0.26800 0.03000 0.05500 Wat2 0.58600 0.00000 0.26800 0.11000 0.05500 Ba3 0.91600 0.00000 0.66600 0.07000 0.04900 Wat3 0.91600 0.00000 0.66600 0.31000 0.04900 Wat4 0.11200 0.00000 0.31100 0.38000 0.05900 Wat5 0.54600 0.09000 0.14900 0.36000 0.04400 Wat6 0.00100 0.16200 0.01200 0.40000 0.06100 Wat7 0.48000 0.15500 0.97300 0.20000 0.04000 Wat8 0.47500 0.04100 0.77800 0.11000 0.04800 Wat9 0.97900 0.08900 0.86000 0.22000 0.03100 Wat10 0.58800 0.26500 0.99000 0.15000 0.02500