data_global
_chemical_name_mineral 'Kieserite'
loop_
_publ_author_name
'Bechtold A'
'Wildner M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 28 
_journal_year 2016
_journal_page_first 43
_journal_page_last 52
_publ_section_title
;
 Crystal chemistry of the kieserite-cobaltkieserite solid solution,
 Mg1-xCox(SO4)*H2O: well-behaved oddities
 Note: sample Mg0.76Co0.28
;
_database_code_amcsd 0021000
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Mg.721 Co.279) S O5 H2'
_cell_length_a 6.929
_cell_length_b 7.623
_cell_length_c 7.641
_cell_angle_alpha 90
_cell_angle_beta 118.19
_cell_angle_gamma 90
_cell_volume 355.724
_exptl_crystal_density_diffrn      2.764
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Mg   0.00000   0.50000   0.00000   0.72100   0.00820
Co   0.00000   0.50000   0.00000   0.27900   0.00820
S   0.00000   0.15452   0.25000   1.00000   0.00740
O1   0.17492   0.04403   0.39601   1.00000   0.01400
O2   0.09304   0.26733   0.15049   1.00000   0.01280
O3   0.00000   0.63606   0.25000   1.00000   0.01140
H   0.10000   0.69900   0.28800   1.00000   0.03810
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
Mg 0.00750 0.00820 0.00850 0.00030 0.00350 0.00040
Co 0.00750 0.00820 0.00850 0.00030 0.00350 0.00040
S 0.00580 0.00690 0.00890 0.00000 0.00310 0.00000
O1 0.00860 0.01550 0.01590 0.00400 0.00410 0.00700
O2 0.01260 0.01150 0.01700 0.00120 0.00920 0.00500
O3 0.01110 0.01210 0.01140 0.00000 0.00560 0.00000