data_global
_chemical_name_mineral 'Clinoatacamite'
loop_
_publ_author_name
'Zheng X G'
'Kawae T'
'Kashitani Y'
'Li C S'
'Tateiwa N'
'Takeda K'
'Yamada H'
'Xu C N'
'Ren Y'
_journal_name_full 'Physical Review'
_journal_volume B71 
_journal_year 2005
_journal_page_first 052409
_journal_page_last 4
_publ_section_title
;
 Unconventional magnetic transitions in the mineral clinoatacamite
;
_database_code_amcsd 0017752
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu2 (O3 Cl) H3'
_cell_length_a 6.1637
_cell_length_b 6.8166
_cell_length_c 9.1140
_cell_angle_alpha 90
_cell_angle_beta 99.6515
_cell_angle_gamma 90
_cell_volume 377.509
_exptl_crystal_density_diffrn      3.758
_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   0.00720
Cu2   0.00000   0.00000   0.00000   0.00720
Cu3   0.25900   0.23580   0.74680   0.00720
O-H1   0.31100   0.28830   0.55130   0.01260
O-H2   0.42550  -0.00800   0.77890   0.01260
O-H3   0.25230   0.68440   0.53620   0.01260
Cl   0.11300  -0.00440   0.30800   0.01410