data_global
_chemical_name_mineral 'Chalcomenite'
loop_
_publ_author_name
'Pasero M'
'Perchiazzi N'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1989 
_journal_year 1989
_journal_page_first 551
_journal_page_last 556
_publ_section_title
;
 Chalcomenite from Baccu Locci, Sardinia, Italy:
 mineral data and structure refinement
;
_database_code_amcsd 0019225
_chemical_compound_source 'Baccu Locci, Sardinia, Italy'
_chemical_formula_sum 'Cu Se O5 H4'
_cell_length_a 6.666
_cell_length_b 9.169
_cell_length_c 7.373
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 450.642
_exptl_crystal_density_diffrn      3.339
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.48150   0.84530   0.78600   0.01229
Se   0.27160   0.60830   0.54320   0.01039
O1   0.75890   0.78090   0.27330   0.01596
O2   0.03010   0.61350   0.47040   0.01406
O3   0.73330   0.94140   0.85630   0.01381
O4   0.95030   0.71600   0.95720   0.01659
O5   0.70870   0.55820   0.69160   0.02305
H41   0.08600   0.71000   0.91100 ?
H43   0.87400   0.78200   0.88200 ?
H52   0.85200   0.54100   0.64800 ?
H54   0.72000   0.62700   0.80300 ?