data_global _chemical_name_mineral 'Cymrite-K' loop_ _publ_author_name 'Fasshauer D W' 'Chatterjee N D' 'Marler B' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 24 _journal_year 1997 _journal_page_first 455 _journal_page_last 462 _publ_section_title ; Synthesis, structure, thermodynamic properties, and stability relations of K-cymrite, K[AlSi3O8].H2O ; _database_code_amcsd 0008028 _chemical_formula_sum 'K (Al Si3) O9 H2' _cell_length_a 5.3348 _cell_length_b 5.3348 _cell_length_c 7.7057 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 189.924 _exptl_crystal_density_diffrn 2.591 _symmetry_space_group_name_H-M 'P 6/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' 'x,x-y,-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,z' '-x+y,y,-z' 'x,y,-z' '-x,-y,z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,z' '-y,-x,-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K 0.00000 0.00000 0.00000 1.00000 0.03730 Al 0.33333 0.66667 0.28831 0.25000 0.01243 Si 0.33333 0.66667 0.28830 0.75000 0.01243 O1 0.50000 0.00000 0.21369 1.00000 0.01419 O2 0.33333 0.66667 0.50000 1.00000 0.01429 Wat 0.00000 0.00000 0.50000 1.00000 ? 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 Wat 0.01030 0.01030 0.22310 0.00520 0.00000 0.00000