data_global _chemical_name_mineral 'Alpersite' loop_ _publ_author_name 'Peterson R C' 'Hammarstrom J M' 'Seal II R R' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 261 _journal_page_last 269 _publ_section_title ; Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian pentahydrite: Their occurrence within mine waste ; _database_code_amcsd 0004014 _chemical_compound_source 'Big Mike mine, Nevada, USA' _chemical_formula_sum '(Mg.683 Cu.317) S O11 H14' _cell_length_a 14.166 _cell_length_b 6.534 _cell_length_c 10.838 _cell_angle_alpha 90 _cell_angle_beta 105.922 _cell_angle_gamma 90 _cell_volume 964.687 _exptl_crystal_density_diffrn 1.783 _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_occupancy Mg1 0.00000 0.00000 0.00000 0.96400 Cu1 0.00000 0.00000 0.00000 0.03600 Mg2 0.50000 0.50000 0.00000 0.40200 Cu2 0.50000 0.50000 0.00000 0.59800 S 0.22874 0.46930 0.17440 1.00000 O1 0.20190 0.47180 0.03270 1.00000 O2 0.14400 0.54240 0.21590 1.00000 O3 0.31420 0.60360 0.22450 1.00000 O4 0.25330 0.25820 0.22300 1.00000 Wat1 0.10530 0.37500 0.42550 1.00000 Wat2 0.10430 0.95610 0.17650 1.00000 Wat3 0.02730 0.79080 0.42970 1.00000 Wat4 0.48100 0.45350 0.17510 1.00000 Wat5 0.43090 0.26920 0.44190 1.00000 Wat6 0.34910 0.84180 0.44000 1.00000 Wat7 0.36660 0.00730 0.11230 1.00000 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 Mg1 0.03100 0.03100 0.03300 0.00320 0.00930 0.00200 Cu1 0.03100 0.03100 0.03300 0.00320 0.00930 0.00200 Mg2 0.03100 0.03480 0.02410 0.00490 0.00550 0.00180 Cu2 0.03100 0.03480 0.02410 0.00490 0.00550 0.00180 S 0.03270 0.03810 0.03230 0.00050 0.00880 0.00100 O1 0.05000 0.04700 0.03000 0.00800 0.00500 0.00300 O2 0.04000 0.05900 0.06200 0.02100 0.02500 0.01300 O3 0.04500 0.05900 0.04300 0.01800 0.01200 0.01000 O4 0.06100 0.02700 0.04600 0.00800 0.01000 0.00500 Wat1 0.06500 0.07000 0.06200 0.03800 0.03400 0.02200 Wat2 0.04600 0.04800 0.05200 0.00100 0.00200 0.00500 Wat3 0.05500 0.03500 0.05300 0.00400 0.01400 0.00500 Wat4 0.04900 0.04600 0.03800 0.00500 0.01200 0.00300 Wat5 0.05000 0.04600 0.03900 0.00730 0.01100 0.00500 Wat6 0.04300 0.05600 0.04700 0.00100 0.00800 0.00600 Wat7 0.04600 0.03900 0.04600 0.00200 0.00800 0.00300