#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007426.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9007426
loop_
_publ_author_name
'Wells A F'
_publ_section_title
;
 The crystal structure of atacamite and the crystal chemistry of
 cupric compounds
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              175
_journal_page_last               180
_journal_volume                  2
_journal_year                    1949
_chemical_formula_sum            'Cu2 Cl O3 H3'
_chemical_name_mineral           Atacamite
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.01
_cell_length_b                   9.13
_cell_length_c                   6.84
_cell_volume                     375.320
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.00000 0.00000 0.00000
Cu2 0.19200 0.25800 0.25000
Cl 0.35000 0.05800 0.75000
O-H1 0.18500 0.00000 0.25000
O-H2 0.43000 0.29200 0.06500