data_global _chemical_name_mineral 'Magnesiozippeite' loop_ _publ_author_name 'Burns P C' 'Deely K M' 'Hayden L A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 687 _journal_page_last 706 _publ_section_title ; The crystal chemistry of the zippeite group Sample: SZIPPMg ; _database_code_amcsd 0005854 _chemical_formula_sum 'U4 Mg2 S2 O31 H22' _cell_length_a 8.6457 _cell_length_b 17.2004 _cell_length_c 18.4642 _cell_angle_alpha 90 _cell_angle_beta 102.119 _cell_angle_gamma 90 _cell_volume 2684.608 _exptl_crystal_density_diffrn 3.917 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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(1) 0.37880 0.57380 0.25790 0.01100 U(2) 0.12050 0.40620 0.23730 0.01100 U(3) -0.13580 0.57460 0.22920 0.01100 U(4) 0.63370 0.40550 0.26520 0.01100 Mg(1) 0.20700 0.39530 0.45030 0.02100 Mg(2) 0.27910 0.60820 0.04610 0.01900 S(1) 0.62180 0.74040 0.24210 0.01400 S(2) 0.12070 0.74030 0.23930 0.01600 O(1) 0.75850 0.30840 0.71160 0.02300 O(2) 0.37550 0.44490 0.24800 0.01400 O(3) 0.62400 0.53310 0.24370 0.01900 O(4) 0.32770 0.59660 0.15890 0.01900 O(5) 0.07490 0.41630 0.13690 0.01600 O(6) 0.16340 0.38570 0.33560 0.01700 O(7) -0.04300 0.28690 0.21150 0.02000 O(8) 0.12530 0.53470 0.24900 0.01600 O(9) 0.42690 0.56120 0.35790 0.01700 O(10) -0.09100 0.60350 0.32500 0.01600 O(11) 0.59100 0.37210 0.16980 0.01800 O(12) 0.80780 0.29240 0.30770 0.02200 O(13) 0.50470 0.79080 0.19510 0.02100 O(14) 0.73710 0.79000 0.29250 0.02100 O(15) 0.67730 0.42620 0.36440 0.01900 O(16) 0.87590 0.44620 0.24730 0.01500 O(17) -0.18020 0.55730 0.13120 0.01800 O(18) 0.00710 0.68910 0.19100 0.01800 O(19) 0.69830 0.69330 0.19290 0.02100 O(20) 0.54850 0.68980 0.29070 0.01900 Wat(21) 0.22890 0.62170 -0.06530 0.02500 Wat(22) 0.26240 0.39830 0.56250 0.02500 Wat(23) -0.02810 0.37380 0.46200 0.03900 Wat(24) 0.26040 0.27810 0.44600 0.03500 Wat(25) 0.50690 0.57290 0.03870 0.03700 Wat(26) 0.35510 0.72120 0.05890 0.03200 Wat(27) 0.01140 0.24140 0.06670 0.05000 Wat(28) 0.20000 0.49320 0.02980 0.02900 Wat(29) 0.44700 0.42530 0.45730 0.03600 Wat(30) 0.14850 0.51270 0.43780 0.03700 Wat(31) 0.04600 0.64090 0.04600 0.03000