data_global
_chemical_name_mineral 'Dolerophanite'
loop_
_publ_author_name
'Effenberger H'
_journal_name_full 'Monatshefte fur Chemie'
_journal_volume 116 
_journal_year 1985
_journal_page_first 927
_journal_page_last 931
_publ_section_title
;
 Cu2O(SO4), dolerophanite: Refinement of the crystal structure with
 a comparison of [OCu(II)4] tetrahedra in inorganic compounds
;
_database_code_amcsd 0014667
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu2 S O5'
_cell_length_a 9.370
_cell_length_b 6.319
_cell_length_c 7.639
_cell_angle_alpha 90
_cell_angle_beta 122.34
_cell_angle_gamma 90
_cell_volume 382.141
_exptl_crystal_density_diffrn      4.157
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
Cu1   0.25000   0.25000   0.00000   0.00900
Cu2   0.07210   0.00000   0.21820   0.01000
S   0.10240   0.50000   0.31570   0.00800
O1   0.20380   0.50000   0.22320   0.01900
O2   0.29470   0.00000   0.45930   0.01400
O3   0.15140   0.00000   0.02170   0.00800
O4   0.49160   0.19060   0.24980   0.01200
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
Cu1 0.00550 0.01060 0.01380 -0.00090 0.00250 0.00230
Cu2 0.00500 0.01750 0.00880 0.00000 0.00020 0.00000
S 0.00600 0.01010 0.00990 0.00000 0.00160 0.00000
O1 0.02200 0.02800 0.02500 0.00000 0.01700 0.00000
O2 0.00800 0.02400 0.00900 0.00000 -0.00300 0.00000
O3 0.00400 0.00900 0.01000 0.00000 0.00100 0.00000
O4 0.00800 0.01000 0.01800 0.00100 0.00000 0.00200