data_global _chemical_name_mineral 'Jaffeite' loop_ _publ_author_name 'Yamnova N A' 'Sarp K' 'Egorov-Tismenko Y K' 'Pushcharovskii D Y' _journal_name_full 'Crystallography Reports' _journal_volume 38 _journal_year 1993 _journal_page_first 464 _journal_page_last 467 _publ_section_title ; Crystal structure of jaffeite ; _database_code_amcsd 0012342 _chemical_compound_source 'metamorphic rocks, Kombat region, Namibia' _chemical_formula_sum 'Ca6 Si2 O13 H6' _cell_length_a 10.035 _cell_length_b 10.035 _cell_length_c 7.499 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 653.986 _exptl_crystal_density_diffrn 2.593 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.66890 0.04550 -0.01210 0.00089 Ca2 0.66650 0.04260 0.49870 0.01267 Ca3 0.04920 0.38860 0.24130 0.00887 Ca4 0.03970 0.37380 0.74310 0.01900 Si1 0.66667 0.33333 0.71060 0.00887 Si2 0.66667 0.33333 0.26580 0.01558 Si3 0.33333 0.66667 0.02460 0.00773 Si4 0.33333 0.66667 0.46090 0.00241 O1 0.66667 0.33333 0.50000 0.03926 O2 0.33333 0.66667 0.25400 0.02913 O3 0.59600 0.14700 0.22900 0.01140 O4 0.59100 0.14750 0.76500 0.01646 O5 0.15920 0.55560 -0.02300 0.00633 O6 0.15640 0.55940 0.51900 0.01267 O-h7 0.22290 0.30280 0.25600 0.00633 O-h8 0.20870 0.26810 0.74200 0.02280 O-h9 0.92780 0.20620 0.00300 0.01013 O-h10 0.92780 0.20720 0.49330 0.01393 H1 0.15200 0.15800 0.73300 0.05699 H2 0.15800 0.00400 0.00300 0.05699 H3 0.16700 0.01400 0.50600 0.05699 H4 0.14800 0.16100 0.23100 0.05699