#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009830.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_9009830
_chemical_name 'Chalcocyanite'
loop_
_publ_author_name
'Wildner M'
'Giester G'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 39
_journal_year 1988
_journal_page_first 201
_journal_page_last 209
_publ_section_title
;
 Crystal structure refinements of synthetic
 chalcocyanite (CuSO4) and zincosite (ZnSO4)
 Locality: synthetic
;
_chemical_formula_sum 'Cu S O4'
_cell_length_a 8.409
_cell_length_b 6.709
_cell_length_c 4.833
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 272.658
_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
Cu   0.00000   0.00000   0.00000   0.00970
S   0.18363   0.25000   0.44979   0.00710
O1   0.12930   0.25000   0.73530   0.01170
O2   0.36460   0.25000   0.43850   0.00920
O3   0.13280   0.06740   0.30830   0.01110