data_global _chemical_name_mineral 'Novacekite' loop_ _publ_author_name 'Locock A J' 'Burns P C' 'Flynn M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 1699 _journal_page_last 1718 _publ_section_title ; Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MgUAs12 ; _database_code_amcsd 0005983 _chemical_formula_sum 'Mg U2 As2 O24 H24' _cell_length_a 7.1594 _cell_length_b 7.1610 _cell_length_c 11.3146 _cell_angle_alpha 81.391 _cell_angle_beta 81.177 _cell_angle_gamma 88.884 _cell_volume 566.756 _exptl_crystal_density_diffrn 3.101 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Mg 0.00000 0.00000 0.50000 0.02800 U 0.73220 0.23000 0.07980 0.01200 As 0.75090 0.74570 -0.00150 0.01200 O1 0.77590 0.26880 -0.07970 0.01100 O2 0.68630 0.18710 0.24010 0.02100 O3 0.77260 0.54270 0.09220 0.01900 O4 0.69260 0.91310 0.08640 0.02100 O5 0.58540 0.72540 -0.08940 0.02000 O6 0.95460 0.80490 -0.09590 0.01900 Wat1 0.80130 -0.19660 0.47480 0.03400 Wat2 0.12860 0.00280 0.32360 0.03900 Wat3 0.81630 0.21320 0.45080 0.03900 Wat4 0.46750 0.79060 0.30710 0.04000 Wat5 0.07890 0.44150 0.68680 0.03900 Wat6 0.30020 0.44040 0.31490 0.04100