data_global _chemical_name_mineral 'Guilleminite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 1103 _journal_page_last 1109 _publ_section_title ; The crystal structure of guilleminite, a hydrated Ba-U-Se sheet structure ; _database_code_amcsd 0005466 _chemical_formula_sum 'Ba U3 Se2 O17 H6' _cell_length_a 7.084 _cell_length_b 7.293 _cell_length_c 16.881 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 872.133 _exptl_crystal_density_diffrn 4.902 _symmetry_space_group_name_H-M 'P 21 n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' 'x,y,-z' '1/2+x,-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba 0.00000 0.07650 0.00000 ? U1 0.82080 0.39120 0.50000 ? U2 0.32220 0.39420 0.39170 ? Se 0.83020 0.37130 0.29590 ? O1 0.84000 0.14600 0.50000 0.01710 O2 0.50400 0.32500 0.50000 0.01130 O3 0.14000 0.40300 0.50000 0.00630 O4 0.29800 0.36300 0.00000 0.02890 O5 0.35700 0.63600 0.39700 0.01610 O6 0.30300 0.14700 0.38500 0.02250 O7 0.99400 0.43300 0.36500 0.02610 O8 0.29200 0.42800 0.25000 0.01690 O9 0.65500 0.36400 0.36200 0.02360 Wat1 0.61700 0.11900 0.00000 0.02130 Wat2 0.15400 0.09900 0.15800 0.05890 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 Ba 0.00830 0.01730 0.03760 -0.00050 0.00000 0.00000 U1 0.00230 0.01490 0.01510 0.00040 0.00000 0.00000 U2 0.00240 0.01610 0.01170 -0.00020 -0.00090 0.00070 Se 0.00730 0.02550 0.01320 0.00070 0.00140 0.00170