data_global _chemical_name_mineral 'Kalsilite' loop_ _publ_author_name 'Cellai D' 'Gesing T M' 'Wruck B' 'Carpenter M A' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 1950 _journal_page_last 1955 _publ_section_title ; X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite ; _database_code_amcsd 0002336 _chemical_formula_sum 'K Al Si O4' _cell_length_a 5.1627 _cell_length_b 5.1627 _cell_length_c 8.706 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 200.957 _exptl_crystal_density_diffrn 2.614 _symmetry_space_group_name_H-M 'P 63' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K 0.00000 0.00000 0.25000 Al 0.33333 0.66667 0.06100 Si 0.33333 0.66667 0.44300 O1 0.33333 0.66667 0.24100 O2 0.60270 0.01190 0.99700 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 0.01740 0.01740 0.01940 0.00870 0.00000 0.00000 Al 0.00860 0.00860 0.01100 0.00430 0.00000 0.00000 Si 0.00810 0.00810 0.00700 0.00405 0.00000 0.00000 O1 0.05200 0.05200 0.00500 0.02600 0.00000 0.00000 O2 0.01100 0.01200 0.03600 0.00600 0.00300 0.00200