data_global _chemical_name_mineral 'Grimselite' loop_ _publ_author_name 'Plasil J' 'Fejfarova K' 'Skala R' 'Skoda R' 'Meisser N' 'Hlousek J' 'Cisarova I' 'Dusek M' 'Veselovsky F' 'Cejka J' 'Sejkora J' 'Ondrus P' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 443 _journal_page_last 453 _publ_section_title ; The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample B ; _database_code_amcsd 0018909 _chemical_compound_source 'Jachymov, Czech Republic' _chemical_formula_sum 'K3 Na U C3 O12 H2' _cell_length_a 9.3000 _cell_length_b 9.3000 _cell_length_c 8.2940 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 621.242 _exptl_crystal_density_diffrn 3.252 _symmetry_space_group_name_H-M 'P -6 2 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' '-x+y,-x,1/2-z' 'y,x,-z' '-y,x-y,z' 'x-y,-y,1/2+z' 'x,y,1/2-z' '-x,-x+y,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,x-y,1/2-z' 'x-y,-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 0.29220 0.00000 0.00000 1.00000 0.03680 Na 0.33333 0.66667 0.75000 1.00000 0.02700 U 0.66667 0.33333 0.75000 1.00000 0.01650 C 0.98900 0.63200 0.75000 1.00000 0.02200 O1 0.96770 0.47800 0.75000 1.00000 0.02600 O2 0.84750 0.62990 0.75000 1.00000 0.02300 O3 0.66667 0.33333 0.96500 1.00000 0.03100 O4 0.12810 0.75900 0.75000 1.00000 0.02600 Wat5 0.00000 0.00000 0.13000 0.50000 0.07100 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 0.04200 0.03600 0.03100 0.01780 0.00430 0.00900 Na 0.02900 0.02900 0.02200 0.01430 0.00000 0.00000 U 0.01490 0.01490 0.01970 0.00750 0.00000 0.00000 C 0.02100 0.01600 0.02800 0.00900 0.00000 0.00000 O1 0.01000 0.02000 0.04800 0.00800 0.00000 0.00000 O2 0.01800 0.03600 0.03500 0.01700 0.00000 0.00000 O3 0.03000 0.03000 0.03400 0.01500 0.00000 0.00000 O4 0.02300 0.02400 0.05000 0.00800 0.00000 0.00000 Wat5 0.08300 0.08300 0.05000 0.04000 0.00000 0.00000