data_global _chemical_name_mineral 'Okenite' loop_ _publ_author_name 'Merlino S' _journal_name_full 'American Mineralogist' _journal_volume 68 _journal_year 1983 _journal_page_first 614 _journal_page_last 622 _publ_section_title ; Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate ; _database_code_amcsd 0000902 _chemical_compound_source 'Kolhapur District, Maharastra State, India' _chemical_formula_sum 'Ca5 Si9 O32 H18' _cell_length_a 9.69 _cell_length_b 7.28 _cell_length_c 22.02 _cell_angle_alpha 92.7 _cell_angle_beta 100.1 _cell_angle_gamma 110.9 _cell_volume 1418.476 _exptl_crystal_density_diffrn 2.302 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ca1 -0.02800 0.50900 0.15530 1.00000 0.01140 Ca2 -0.37500 0.57700 0.12380 1.00000 0.00887 Ca3 -0.38300 0.07400 0.12480 1.00000 0.01013 Ca4 -0.01900 0.01400 0.17190 1.00000 0.00887 Ca5 0.13300 0.89600 0.49900 0.50000 0.02280 Ca6 -0.19900 0.94900 0.47900 0.50000 0.03673 Si1 -0.14700 0.14200 0.02410 1.00000 0.01267 Si2 -0.14700 0.71500 0.02320 1.00000 0.01646 Si3 -0.40000 0.29900 -0.00880 1.00000 0.01393 Si4 -0.26600 0.42200 0.26170 1.00000 0.02406 Si5 -0.27600 0.83800 0.26630 1.00000 0.01267 Si6 0.17600 0.84600 0.29260 1.00000 0.01013 Si7 0.05300 0.41200 0.29900 1.00000 0.00633 Si8 0.02400 0.06700 0.36540 1.00000 0.00887 Si9 0.48100 0.01600 0.25600 1.00000 0.00887 O1 -0.26400 0.39300 0.19000 1.00000 0.00633 O2 -0.13400 0.71400 0.09800 1.00000 0.01140 WatO3 0.20600 0.63200 0.12800 1.00000 0.02026 O4 0.06500 0.80000 0.22800 1.00000 0.02786 O5 -0.13100 0.18600 0.09600 1.00000 0.02533 O6 0.03700 0.32300 0.23100 1.00000 0.02786 O7 -0.26500 0.88600 0.19700 1.00000 0.00633 WatO8 0.19400 0.10000 0.13200 1.00000 0.02153 O9 -0.43900 0.29100 0.06100 1.00000 0.00507 O10 0.45900 0.22600 -0.06500 1.00000 0.00633 WatO11 0.41800 0.47900 0.17800 1.00000 0.03293 O12 0.42900 0.97600 0.18300 1.00000 0.02406 O13 0.00200 0.28500 0.00000 1.00000 0.02786 O14 -0.16800 0.91700 -0.00100 1.00000 0.00127 O15 0.28900 0.82100 0.01400 1.00000 0.03166 O16 0.30100 0.45900 0.01700 1.00000 0.00507 O17 -0.29300 0.62600 0.28000 1.00000 0.01773 O18 -0.10400 0.43500 0.30500 1.00000 0.01520 O19 0.60800 0.23500 0.28400 1.00000 0.00887 O20 0.56700 0.86600 0.27900 1.00000 0.01646 O21 -0.14400 0.99200 0.31800 1.00000 0.01140 O22 0.00200 0.04200 0.43700 1.00000 0.02406 O23 0.10100 0.29700 0.35400 1.00000 0.00760 O24 0.12300 0.94900 0.34800 1.00000 0.00887 O25 0.18200 0.64400 0.31800 1.00000 0.00760 O26 0.34700 0.98300 0.29100 1.00000 0.01013 Wat1 0.26500 0.80200 0.58800 1.00000 0.08106 Wat2 -0.06700 0.57400 0.44200 0.50000 0.06839 Wat3 0.28800 0.76800 0.44800 0.50000 0.06586 Wat4 -0.36200 0.80600 0.49500 0.50000 0.10132 Wat5 -0.28900 0.61300 0.50600 0.50000 0.18744 Wat6 0.37800 0.92700 0.47400 0.50000 0.16971 Wat7 -0.09800 0.34500 0.55000 0.50000 0.18871 Wat8 -0.53500 0.28500 0.39900 1.00000 0.16845 Wat9 0.42000 0.75500 0.40900 0.50000 0.05319 Wat10 0.47100 0.61800 0.37300 0.50000 0.07852