data_global _chemical_name_mineral 'Clinotobermorite' loop_ _publ_author_name 'Merlino S' 'Bonaccorsi E' 'Armbruster T' _journal_name_full 'European Journal of Mineralogy' _journal_volume 12 _journal_year 2000 _journal_page_first 411 _journal_page_last 429 _publ_section_title ; The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2 data collected at Pisa ; _database_code_amcsd 0006830 _chemical_formula_sum 'Ca5 Si6 O22 H10' _cell_length_a 11.274 _cell_length_b 7.344 _cell_length_c 11.468 _cell_angle_alpha 99.18 _cell_angle_beta 97.19 _cell_angle_gamma 90.02 _cell_volume 929.775 _exptl_crystal_density_diffrn 2.611 _symmetry_space_group_name_H-M 'C 1' loop_ _space_group_symop_operation_xyz '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_U_iso_or_equiv Ca1 0.36400 0.10720 0.92280 0.00230 Ca1A -0.36340 -0.10420 -0.91340 0.00230 Ca3 0.86790 0.09980 0.89810 0.00240 Ca3A -0.87110 -0.10010 -0.90690 0.00240 Ca2 0.31130 -0.01770 0.42890 0.02500 Si1 0.89310 0.20460 0.18390 0.00140 Si1A -0.89410 -0.20960 -0.18410 0.00140 Si2 0.99630 -0.03620 0.35530 0.00560 Si2A -0.99500 0.03830 -0.36080 0.00560 Si3 0.89490 -0.37260 0.18690 0.00180 Si3A -0.89460 0.36880 -0.18590 0.00180 O1 0.91300 0.12400 0.31000 0.01300 O1A -0.91600 -0.12800 -0.30900 0.01300 O11 0.91900 -0.22900 0.31600 0.01000 O11A -0.91200 0.22700 -0.30900 0.01000 O2 0.77100 -0.34300 0.11500 0.00400 O2A -0.76700 0.34900 -0.10800 0.00400 O21 0.76500 0.14900 0.10600 0.00800 O21A -0.76700 -0.15100 -0.11100 0.00800 O3 0.00500 -0.35500 0.11100 0.00500 O3A 0.00300 0.35700 -0.10600 0.00500 O31 0.00200 0.15500 0.09900 0.00400 O31A 0.00500 -0.16100 -0.10500 0.00400 O4 0.89100 0.43100 0.23700 0.00900 O4A -0.89500 -0.43200 -0.23800 0.00900 O5 0.00900 -0.00200 0.49700 0.01400 Wat5 0.51400 0.00900 0.51100 0.02300 O6 0.12700 -0.04100 0.31100 0.01400 O6A -0.12400 0.05300 -0.31900 0.01400 Wat6 -0.33500 -0.05100 -0.68300 0.09200 Wat6A 0.34200 0.04300 0.69900 0.09200 Wat7 0.26000 -0.23800 0.53700 0.05400 Wat8 0.26000 0.25700 0.53500 0.05700