data_global
_chemical_name_mineral 'Alpersite'
loop_
_publ_author_name
'Peterson R C'
'Hammarstrom J M'
'Seal 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 0004015
_chemical_compound_source 'Miami, Arizona, USA'
_chemical_formula_sum '(Mg.555 Cu.445) S O11 H14'
_cell_length_a 14.189
_cell_length_b 6.547
_cell_length_c 10.830
_cell_angle_alpha 90
_cell_angle_beta 105.872
_cell_angle_gamma 90
_cell_volume 967.701
_exptl_crystal_density_diffrn      1.812
_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   0.84500
Cu1   0.00000   0.00000   0.00000   0.15500
Mg2   0.50000   0.50000   0.00000   0.26500
Cu2   0.50000   0.50000   0.00000   0.73500
S   0.22865   0.46720   0.17410   1.00000
O1   0.20170   0.46910   0.03210   1.00000
O2   0.14440   0.54310   0.21810   1.00000
O3   0.31520   0.60280   0.22400   1.00000
O4   0.25380   0.25690   0.22210   1.00000
Wat1   0.10570   0.37890   0.42560   1.00000
Wat2   0.10470   0.95620   0.17730   1.00000
Wat3   0.02860   0.79110   0.43000   1.00000
Wat4   0.48140   0.45300   0.17370   1.00000
Wat5   0.42940   0.26450   0.43910   1.00000
Wat6   0.34800   0.83900   0.44130   1.00000
Wat7   0.36820   0.00850   0.11310   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 0.02700 0.02400 0.03500 0.00300 0.01000 0.00400
Cu1 0.02700 0.02400 0.03500 0.00300 0.01000 0.00400
Mg2 0.02900 0.03000 0.02470 0.00440 0.00640 0.00190
Cu2 0.02900 0.03000 0.02470 0.00440 0.00640 0.00190
S 0.03070 0.03100 0.03630 0.00060 0.01020 0.00030
O1 0.04900 0.04600 0.03000 0.00700 0.00800 0.00100
O2 0.04800 0.05000 0.05900 0.01500 0.03300 0.01200
O3 0.04700 0.04400 0.05000 0.01800 0.00900 0.01100
O4 0.05000 0.03600 0.05500 0.00800 0.00900 0.00700
Wat1 0.06700 0.06300 0.06400 0.03000 0.03700 0.02400
Wat2 0.05100 0.04300 0.04600 0.00400 0.00300 0.00300
Wat3 0.04500 0.03400 0.05000 0.00300 0.01100 0.00800
Wat4 0.04300 0.04800 0.03600 0.00400 0.01300 0.00100
Wat5 0.04900 0.04000 0.04300 0.00700 0.00700 0.00700
Wat6 0.05100 0.05300 0.04500 0.00800 0.00600 0.00700
Wat7 0.04900 0.03600 0.04900 0.00100 0.00800 0.00400