data_global _chemical_name_mineral 'Mikenewite' loop_ _publ_author_name 'Yang H' 'Jenkins R A' 'McGlasson J A' 'Gibbs R B' 'Downs R T' _journal_name_full 'Mineralogical Magazine' _journal_volume 87 _journal_year 2023 _journal_page_first 534 _journal_page_last 541 _publ_section_title ; Mikenewite, the natural analogue of synthetic a-Mn2+(S4+O3)*3H2O, a new sulfite mineral from the Ojuela mine, Mapimi, Mexico ; _database_code_amcsd 0021221 _chemical_compound_source 'Ojuela mine, Mapimi, Mexico' _chemical_formula_sum '(Mn.904 Zn.096) S O6 H6' _cell_length_a 6.6390 _cell_length_b 8.8895 _cell_length_c 8.7900 _cell_angle_alpha 90 _cell_angle_beta 96.095 _cell_angle_gamma 90 _cell_volume 515.830 _exptl_crystal_density_diffrn 2.447 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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_occupancy _atom_site_U_iso_or_equiv Mn 0.43086 0.24689 0.64354 0.90400 0.01284 Zn 0.43086 0.24689 0.64354 0.09600 0.01284 S 0.67451 0.57024 0.67378 1.00000 0.01300 O1 0.54450 0.69750 0.59497 1.00000 0.01900 O2 0.77740 0.64257 0.81998 1.00000 0.02070 O3 0.52070 0.46359 0.73310 1.00000 0.01820 O4 0.11068 0.34728 0.64347 1.00000 0.01900 O5 0.26410 0.04567 0.57326 1.00000 0.02690 O6 0.36377 0.16726 0.87396 1.00000 0.01910 H1 0.05800 0.32600 0.70000 1.00000 0.05000 H2 0.11300 0.45500 0.64600 1.00000 0.05000 H3 0.25500 0.01000 0.49300 1.00000 0.05000 H4 0.16500 0.02500 0.62200 1.00000 0.05000 H5 0.24600 0.17500 0.89500 1.00000 0.05000 H6 0.45300 0.17800 0.95600 1.00000 0.05000 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 Mn 0.01303 0.01269 0.01270 0.00019 0.00096 0.00186 Zn 0.01303 0.01269 0.01270 0.00019 0.00096 0.00186 S 0.01103 0.01513 0.01297 -0.00014 0.00186 0.00039 O1 0.01920 0.02160 0.01640 0.00370 0.00300 0.00700 O2 0.01810 0.02730 0.01580 -0.00910 -0.00160 -0.00050 O3 0.01980 0.01390 0.02150 -0.00440 0.00560 -0.00020 O4 0.01830 0.01840 0.02040 0.00020 0.00290 0.00160 O5 0.03570 0.02770 0.01880 -0.01330 0.01010 -0.00840 O6 0.01530 0.02790 0.01400 0.00100 0.00160 0.00210