data_global
_chemical_name_mineral 'Clinochalcomenite'
loop_
_publ_author_name
'Lo K'
'Chen Z'
'Ma Z'
_journal_name_full 'Kexue Tongbao'
_journal_volume 29 
_journal_year 1984
_journal_page_first 352
_journal_page_last 355
_publ_section_title
;
 The crystal structure of clinochalcomenite
 Note: reported coordinates do not produce the reported bond lengths
;
_database_code_amcsd 0018480
_chemical_compound_source 'Gansu Province, China'
_chemical_formula_sum 'Cu Se O5 H4'
_cell_length_a 8.177
_cell_length_b 8.611
_cell_length_c 6.290
_cell_angle_alpha 90
_cell_angle_beta 97.27
_cell_angle_gamma 90
_cell_volume 439.332
_exptl_crystal_density_diffrn      3.425
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.47750   0.36210   0.35650
Se   0.15180   0.85420   0.60120
O1   0.21450   0.68150   0.67400
O2   0.46820   0.41530   0.66950
O3   0.00240   0.81540   0.45330
Wat4   0.18970   0.44150   0.37490
Wat5   0.43040   0.14030   0.42170
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
Cu 0.02633 0.00526 0.01420 -0.00460 0.00103 -0.03702
Se 0.01600 0.01127 0.01854 0.00389 -0.01051 -0.02504
O1 0.03533 0.05560 0.01814 0.02866 -0.03846 -0.02314
O2 0.03333 0.01352 0.01065 0.02158 -0.03384 -0.08628
O3 0.04300 0.01240 0.04595 0.04034 -0.01179 -0.10724
Wat4 0.01733 0.04170 -0.00848 -0.03998 -0.04564 0.04981
Wat5 0.04133 0.02216 0.05680 0.02265 0.06153 0.08002