#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009834.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_9009834
_chemical_name 'Cornetite'
loop_
_publ_author_name
'Eby R K'
'Hawthorne F C'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 40
_journal_year 1989
_journal_page_first 127
_journal_page_last 136
_publ_section_title
;
 Cornetite: modulated densely-packed Cu2+ oxysalt
 Locality: Mine de L'Etoile, Katanga, Zaire
;
_chemical_formula_sum 'Cu3 P O7 H3'
_cell_length_a 10.854
_cell_length_b 14.053
_cell_length_c 7.086
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1080.837
_symmetry_space_group_name_H-M 'P b c a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Cu1   0.01900   0.12739   0.18760
Cu2   0.19409   0.24645   0.40293
Cu3   0.10041   0.45217   0.10920
P   0.38000   0.38640   0.20700
O1   0.26900   0.41010   0.08570
O2   0.92110   0.47260   0.17540
O3   0.48960   0.35960   0.08120
O4   0.34990   0.30340   0.34150
O-H1   0.05640   0.33900   0.95510
O-H2   0.18220   0.18760   0.14700
O-H3   0.13430   0.56790   0.24500