data_global
_chemical_name_mineral 'Clinoatacamite'
loop_
_publ_author_name
'Grice J D'
'Szymanski J T'
'Jambor J L'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 34 
_journal_year 1996
_journal_page_first 73
_journal_page_last 78
_publ_section_title
;
 The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl
;
_database_code_amcsd 0005478
_chemical_formula_sum 'Cu2 O3 Cl'
_cell_length_a 6.144
_cell_length_b 6.805
_cell_length_c 9.112
_cell_angle_alpha 90
_cell_angle_beta 99.55
_cell_angle_gamma 90
_cell_volume 375.692
_exptl_crystal_density_diffrn      3.722
_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
_atom_site_U_iso_or_equiv
Cu1   0.00000   0.50000   0.50000   0.01440
Cu2   0.00000   0.00000   0.00000   0.01680
Cu3   0.25860   0.23840   0.74850   0.01550
O1   0.29980   0.29620   0.54700   0.02200
O2   0.41900  -0.01410   0.77270   0.02200
O3   0.25960   0.67920   0.53720   0.01900
Cl   0.11160  -0.00380   0.30680   0.01870