data_global
_chemical_name_mineral 'Chalcomenite'
loop_
_publ_author_name
'Robinson P D'
'Sen Gupta P K'
'Swihart G H'
'Houk L'
_journal_name_full 'American Mineralogist'
_journal_volume 77 
_journal_year 1992
_journal_page_first 834
_journal_page_last 838
_publ_section_title
;
 Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite,
 Cu(H2O)2[SeO3]
;
_database_code_amcsd 0001528
_chemical_formula_sum 'Se Cu O5 H8'
_cell_length_a 6.674
_cell_length_b 9.161
_cell_length_c 7.398
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 452.318
_exptl_crystal_density_diffrn      3.386
_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
Se   0.73173   0.89063   0.45720   0.01001
Cu   0.02820   0.85137   0.78600   0.01507
O1   0.97350   0.88820   0.52790   0.01646
O2   0.74880   0.78040   0.27180   0.01773
O3   0.72940   0.05860   0.35800   0.01773
Wat4   0.05780   0.78720   0.04400   0.02153
Wat5   0.20900   0.05970   0.81060   0.02660
H1   0.92860   0.78250   0.09380   0.02571
H2   0.09640   0.70090   0.02690   0.02571
H3   0.25020   0.10020   0.67350   0.03179
H4   0.32680   0.05190   0.90960   0.03179