data_global _chemical_name_mineral 'Kenotobermorite' loop_ _publ_author_name 'Merlino S' 'Bonaccorsi E' 'Armbruster T' _journal_name_full 'European Journal of Mineralogy' _journal_volume 13 _journal_year 2001 _journal_page_first 577 _journal_page_last 590 _publ_section_title ; The real structure of tobermorite 11A: normal and anomalous forms, OD character and polytypic modifications Note: sample MDO2 - conventional X-ray source, polytype kenotobermorite-2M ; _database_code_amcsd 0006886 _chemical_compound_source 'Bascenov, Urals, Russia' _chemical_formula_sum 'Ca2.25 Si3 O11 H5' _cell_length_a 6.732 _cell_length_b 7.369 _cell_length_c 22.680 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 123.18 _cell_volume 941.668 _exptl_crystal_density_diffrn 2.507 _symmetry_space_group_name_H-M 'B 1 1 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' 'x,y,-z' '1/2+x,y,1/2-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 0.26320 0.43100 0.20690 1.00000 0.01100 Ca2 0.55900 0.07800 0.04400 0.25000 0.03500 Ca3 0.75190 0.92280 0.29450 1.00000 0.00900 Si1 0.75700 0.38760 0.15740 1.00000 0.00700 Si2 0.91500 0.75600 0.07100 1.00000 0.01500 Si3 0.75800 0.96700 0.15890 1.00000 0.00700 O1 0.75400 0.49900 0.09490 1.00000 0.01800 O2 0.77200 0.18500 0.13280 1.00000 0.01400 O3 0.99200 0.53700 0.19710 1.00000 0.01100 O4 0.52300 0.31200 0.19460 1.00000 0.01500 O5 0.89800 0.75200 0.00000 1.00000 0.01700 O6 0.19700 0.89600 0.09490 1.00000 0.01800 Wat6 0.23700 0.41600 0.09700 1.00000 0.09000 O7 0.75200 0.85300 0.09720 1.00000 0.01700 O8 0.52400 0.80700 0.19620 1.00000 0.00800 O9 0.98400 0.04500 0.20020 1.00000 0.01100 Wat1 0.42000 0.26000 -0.02000 0.50000 0.13000 Wat2 0.92200 0.25000 0.00000 1.00000 0.07000 Wat3 0.40000 0.76000 -0.01900 0.50000 0.10000