data_global
_chemical_name_mineral 'Kobyashevite'
loop_
_publ_author_name
'Strandberg H'
'Langer V'
'Johansson L G'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume 49 
_journal_year 1995
_journal_page_first 5
_journal_page_last 10
_publ_section_title
;
 Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper
;
_database_code_amcsd 0018667
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu5 S2 O18 H14'
_cell_length_a 6.064
_cell_length_b 11.012
_cell_length_c 5.490
_cell_angle_alpha 102.68
_cell_angle_beta 92.43
_cell_angle_gamma 92.06
_cell_volume 356.956
_exptl_crystal_density_diffrn      3.182
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1   0.00000   0.00000   0.00000   0.01013
Cu2   0.50000   0.00000   0.00000   0.01013
Cu3   0.75100  -0.00280   0.50440   0.01001
Cu4   0.50000   0.50000   0.00000   0.01520
S   0.82340   0.27770   0.28690   0.01013
O1   0.76800   0.14500   0.24500   0.01140
O2   0.96500   0.29600   0.08700   0.01520
O3   0.62100   0.34500   0.27800   0.01393
O4   0.93800   0.32100   0.53100   0.01773
O-H1   0.73600  -0.09300   0.83400   0.01773
O-H2   0.50100   0.08400   0.70700   0.00633
O-H3   0.00600   0.08100   0.71100   0.01393
Wat1   0.22500   0.49200   0.14800   0.01900
Wat2   0.38800   0.36100  -0.29600   0.02026