data_global
_chemical_name_mineral 'Cobaltkieserite'
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
;
_database_code_amcsd 0021003
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Co S O5 H2'
_cell_length_a 6.970
_cell_length_b 7.595
_cell_length_c 7.632
_cell_angle_alpha 90
_cell_angle_beta 118.58
_cell_angle_gamma 90
_cell_volume 354.787
_exptl_crystal_density_diffrn      3.239
_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_U_iso_or_equiv
Co   0.00000   0.50000   0.00000   0.00790
S   0.00000   0.15369   0.25000   0.00700
O1   0.17264   0.04269   0.40007   0.01380
O2   0.09688   0.26658   0.15385   0.01220
O3   0.00000   0.63879   0.25000   0.01080
H   0.11000   0.70500   0.29700   0.03930
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
Co 0.00710 0.00810 0.00840 0.00010 0.00360 0.00050
S 0.00540 0.00670 0.00850 0.00000 0.00310 0.00000
O1 0.00830 0.01540 0.01630 0.00380 0.00470 0.00740
O2 0.01180 0.01090 0.01670 0.00140 0.00910 0.00490
O3 0.01050 0.01160 0.01080 0.00000 0.00560 0.00000