data_global _chemical_name_mineral 'Davanite' loop_ _publ_author_name 'Gebert W' 'Medenbach O' 'Florke O W' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 31 _journal_year 1983 _journal_page_first 69 _journal_page_last 79 _publ_section_title ; Darstellung und kristallographie von K2TiSi6O15 - isotyp mit dalyit K2ZrSi6O15 ; _database_code_amcsd 0015694 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K2 Ti Si6 O15' _cell_length_a 7.250 _cell_length_b 7.474 _cell_length_c 6.909 _cell_angle_alpha 105.59 _cell_angle_beta 112.81 _cell_angle_gamma 99.28 _cell_volume 317.198 _exptl_crystal_density_diffrn 2.799 _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 K 0.28620 0.18180 0.70910 Ti 0.00000 0.00000 0.00000 Si1 0.50530 0.68770 0.68560 Si2 0.16640 0.63010 0.85040 Si3 0.18850 0.74240 0.30300 O1 0.50000 0.50000 0.50000 O2 0.01310 0.57800 0.30540 O3 0.09000 0.81400 0.82750 O4 0.10110 0.91830 0.26130 O5 0.25860 0.64360 0.11320 O6 0.26810 0.19060 0.11820 O7 0.36160 0.61020 0.79490 O8 0.39310 0.81960 0.54850 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K 0.02000 0.02600 0.02500 0.00700 0.01100 0.00200 Ti 0.00800 0.00900 0.01000 0.00400 0.00400 0.00500 Si1 0.00700 0.01000 0.00900 0.00400 0.00400 0.00500 Si2 0.00900 0.01000 0.01000 0.00500 0.00600 0.00500 Si3 0.00900 0.01000 0.01000 0.00400 0.00500 0.00500 O1 0.02700 0.02000 0.01500 0.01400 0.01100 0.00500 O2 0.01500 0.01400 0.01700 0.00500 0.00700 0.00500 O3 0.02100 0.01600 0.01500 0.01300 0.01000 0.00800 O4 0.01400 0.01400 0.01200 0.00800 0.00600 0.00700 O5 0.01700 0.01800 0.01200 0.01100 0.00800 0.00800 O6 0.00900 0.01800 0.01700 0.00100 0.00100 0.00800 O7 0.01200 0.02100 0.02000 0.00800 0.01200 0.01300 O8 0.01200 0.01200 0.01200 0.00500 0.00300 0.00600