data_global _chemical_name_mineral 'Milarite' loop_ _publ_author_name 'Cerny P' 'Hawthorne F C' 'Jarosewich E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 18 _journal_year 1980 _journal_page_first 41 _journal_page_last 57 _publ_section_title ; Crystal chemistry of milarite Note: sample Vezna(29a), radial fibrous ; _database_code_amcsd 0005175 _chemical_compound_source 'Vezna west, Czechoslovakia' _chemical_formula_sum 'Ca4 Na.24 K1.184 O30.92 Si12 (Be2.55 Al.45) H1.84' _cell_length_a 10.428 _cell_length_b 10.428 _cell_length_c 13.675 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1287.834 _exptl_crystal_density_diffrn 2.787 _symmetry_space_group_name_H-M 'P 6/m c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,-z' '-x,-y,z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,1/2+z' 'x-y,-y,1/2-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 CaA 0.33333 0.66667 0.26460 1.00000 0.01646 NaB 0.33333 0.66667 0.02250 0.06000 0.01646 KB 0.33333 0.66667 0.02250 0.04600 0.01646 WatB 0.33333 0.66667 0.02250 0.23000 0.01646 KC 0.00000 0.00000 0.25000 1.00000 0.02026 SiT1 0.07920 0.33490 0.11410 1.00000 0.01178 BeT2 0.00000 0.50000 0.25000 0.85000 0.02280 AlT2 0.00000 0.50000 0.25000 0.15000 0.02280 O1 0.09080 0.38100 0.00000 1.00000 0.02280 O2 0.19280 0.27520 0.13470 1.00000 0.02026 O3 0.11310 0.47300 0.18070 1.00000 0.01520 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 CaA 0.01116 0.01116 0.02842 0.00537 0.00000 0.00000 KC 0.02107 0.02107 0.02084 0.01074 0.00000 0.00000 SiT1 0.01363 0.01529 0.00758 0.00785 0.00000 -0.00125 BeT2 0.01116 0.05413 0.01800 0.02727 0.00000 0.00000 AlT2 0.01116 0.05413 0.01800 0.02727 0.00000 0.00000 O1 0.04132 0.02686 0.00379 0.02066 0.00000 0.00000 O2 0.02355 0.02768 0.01611 0.01818 -0.00563 -0.00501 O3 0.01735 0.01405 0.01326 0.00702 0.00000 -0.00250