data_global _chemical_name_mineral 'Dellaite' loop_ _publ_author_name 'Ganiev R M' 'Ilyukhin V V' 'Belov N V' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 190 _journal_year 1970 _journal_page_first 831 _journal_page_last 834 _publ_section_title ; Crystal structure of cement phase Y=Ca6[Si2O7][SiO4](OH)2 ; _database_code_amcsd 0012449 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca6 Si3 O13 H2' _cell_length_a 6.85 _cell_length_b 6.95 _cell_length_c 12.9 _cell_angle_alpha 90.75 _cell_angle_beta 97.33 _cell_angle_gamma 98.25 _cell_volume 602.506 _exptl_crystal_density_diffrn 2.948 _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_U_iso_or_equiv Ca1 0.08200 0.19400 0.10300 0.00215 Ca2 0.19200 0.20600 0.48900 0.00215 Ca3 0.31500 0.19100 0.87600 0.00215 Ca4 0.56000 0.03400 0.32100 0.00215 Ca5 0.89400 0.46800 0.29100 0.00215 Ca6 0.59500 0.47700 0.70300 0.00215 Si1 0.61800 0.29100 0.09800 0.00215 Si2 0.80900 0.28500 0.88500 0.00215 Si3 0.71500 0.29900 0.50900 0.00215 O1 0.61400 0.49000 0.16600 0.00215 O2 0.39400 0.18800 0.05300 0.00215 O3 0.61500 0.18400 0.80600 0.00215 O4 0.74700 0.15300 0.17400 0.00215 O5 0.98800 0.14900 0.91000 0.00215 O-H6 0.22900 0.16500 0.30000 0.00215 O7 0.85000 0.13000 0.48600 0.00215 O-H8 0.19200 0.21000 0.68500 0.00215 O9 0.53000 0.21500 0.56500 0.00215 O10 0.74300 0.33600 0.99900 0.00215 O11 0.64300 0.36800 0.39300 0.00215 O12 0.83600 0.48200 0.58100 0.00215 O13 0.11200 0.51000 0.17000 0.00215