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: MDO2 - synchrotron radiation source, polytype kenotobermorite-2M ; _database_code_amcsd 0006887 _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 0.27700 0.42570 0.20830 1.00000 0.02400 Ca2 0.56200 0.06400 0.04500 0.25000 0.03800 Ca3 0.76300 0.91600 0.29510 1.00000 0.02700 Si1 0.77100 0.38300 0.15780 1.00000 0.03100 Si2 0.92500 0.75000 0.07210 1.00000 0.03000 Si3 0.77200 0.96200 0.15960 1.00000 0.02700 O1 0.77400 0.49500 0.09320 1.00000 0.03900 O2 0.76200 0.16900 0.13050 1.00000 0.01900 O3 0.00200 0.52700 0.20000 1.00000 0.03200 O4 0.53600 0.30400 0.19260 1.00000 0.03500 O5 0.91000 0.74700 0.00000 1.00000 0.03400 O6 0.20200 0.88700 0.09420 1.00000 0.05300 Wat6 0.28900 0.43600 0.09400 1.00000 0.07600 O7 0.76900 0.84300 0.09530 1.00000 0.02700 O8 0.53700 0.79800 0.19680 1.00000 0.03600 O9 0.00400 0.04300 0.20080 1.00000 0.03400 Wat1 0.43300 0.22300 -0.02500 0.50000 0.07200 Wat2 0.94900 0.25600 0.00000 1.00000 0.08000 Wat3 0.43000 0.77000 -0.02200 0.50000 0.09000