data_9007718
_chemical_name 'Atacamite'
loop_
_publ_author_name
'Parise J B'
'Hyde B G'
_journal_name_full "Acta Crystallographica, Section C"
_journal_volume 42
_journal_year 1986
_journal_page_first 1277
_journal_page_last 1280
_publ_section_title
;
 The structure of atacamite and its relationship to spinel
 Locality: Mina La Farola, Chile
;
_chemical_formula_sum 'Cu2 Cl O3 H3'
_cell_length_a 6.030
_cell_length_b 6.865
_cell_length_c 9.120
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 377.531
_symmetry_space_group_name_H-M 'P n m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_Uiso_or_equiv
Cu1   0.00000   0.00000   0.00000   0.00700
Cu2   0.19060   0.25000   0.25530   0.00700
Cl   0.35180   0.75000   0.05560   0.01200
O1   0.14980   0.25000  -0.00180   0.01100
O2   0.44060   0.06510   0.28790   0.00800
H1   0.30490   0.25000  -0.01480   0.00300
H2   0.43310  -0.03340   0.22790   0.00300