data_global _chemical_name_mineral 'Behounekite' loop_ _publ_author_name 'Plasil J' 'Fejfarova K' 'Novak M' 'Dusek M' 'Skoda R' 'Hlousek J' 'Cejka J' 'Majzlan J' 'Sejkora J' 'Machovic V' 'Talla D' _journal_name_full 'Mineralogical Magazine' _journal_volume 75 _journal_year 2011 _journal_page_first 2739 _journal_page_last 2753 _publ_section_title ; Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate ; _database_code_amcsd 0018561 _chemical_compound_source 'Jachymov, Czech Republic' _chemical_formula_sum 'U S2 O12 H8' _cell_length_a 14.6464 _cell_length_b 11.0786 _cell_length_c 5.6910 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 923.431 _exptl_crystal_density_diffrn 3.612 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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_U_iso_or_equiv U 0.82892 0.75000 0.12581 0.00960 S 0.85080 0.44510 0.38560 0.00940 O1 0.97600 0.75000 0.30800 0.02000 O2 0.92440 0.62470 0.11040 0.02100 O3 0.83230 0.57570 0.35200 0.01900 O4 0.90650 0.42970 0.59430 0.01700 O5 0.76110 0.38390 0.41650 0.01800 O6 0.89490 0.39680 0.17510 0.01900 O7 0.70330 0.75000 0.38370 0.02100 H1 0.70100 0.68960 0.46700 0.02528 H2 0.91200 0.56800 0.19900 0.02526 H3 0.97700 0.64400 0.13000 0.02526 H5 1.00500 0.68920 0.34700 0.02362 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 U 0.01010 0.00750 0.01110 0.00000 0.00037 0.00000 S 0.00800 0.00700 0.01320 0.00030 0.00080 0.00010 O1 0.01400 0.01100 0.03400 0.00000 0.01500 0.00000 O2 0.01200 0.01800 0.03300 0.00300 0.00590 0.01290 O3 0.02500 0.01000 0.02100 0.00190 0.00110 0.00020 O4 0.02200 0.01000 0.01900 0.00220 0.00940 0.00100 O5 0.01400 0.02000 0.01900 0.01000 0.00590 0.00350 O6 0.01400 0.02100 0.02300 0.00260 0.00900 0.01120 O7 0.02200 0.01500 0.02600 0.00000 0.01800 0.00000