#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007490.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_9007490
_chemical_name 'Malachite'
loop_
_publ_author_name
'Susse P'
_journal_name_full "Acta Crystallographica"
_journal_volume 22
_journal_year 1967
_journal_page_first 146
_journal_page_last 151
_publ_section_title
;
 Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3
;
_chemical_formula_sum 'Cu2 O5 H2 C'
_cell_length_a 9.502
_cell_length_b 11.974
_cell_length_c 3.240
_cell_angle_alpha 90
_cell_angle_beta 98.75
_cell_angle_gamma 90
_cell_volume 364.347
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,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
_atom_site_Uiso_or_equiv
Cu1   0.49807   0.28787   0.89313   0.01370
Cu2   0.23229   0.39321   0.38832   0.01321
O-h1   0.09400   0.35169   0.91600   0.00481
O-h2   0.37653   0.41610   0.86490   0.00583
H1   0.02000   0.38000   0.71000   0.05066
H2   0.41000   0.50000   0.86000   0.05066
C   0.26660   0.14042   0.47100   0.00659
O1   0.13123   0.13627   0.33810   0.00697
O2   0.33267   0.23506   0.44460   0.00671
O3   0.33414   0.05557   0.62890   0.00811