#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000399.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_9000399
_chemical_name 'Veszelyite'
loop_
_publ_author_name
'Ghose S'
'Leo S R'
'Wan C'
_journal_name_full "American Mineralogist"
_journal_volume 59
_journal_year 1974
_journal_page_first 573
_journal_page_last 581
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. Part I. Veszelyite,
 (Cu,Zn)2ZnPO4(OH)3.2H2O: A novel type of sheet structure and crystal
 chemistry of copper-zinc substitution
;
_chemical_formula_sum 'Cu2 Zn P O9 H7'
_cell_length_a 9.8275
_cell_length_b 10.2244
_cell_length_c 7.5322
_cell_angle_alpha 90
_cell_angle_beta 103.18
_cell_angle_gamma 90
_cell_volume 736.901
_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
Cu1   0.12991   0.07328   0.49115
Cu2   0.35837   0.25318   0.45957
Zn   0.21036   0.07612   0.06936
P   0.41433   0.29884   0.06551
O1   0.03230   0.15904   0.97475
O2   0.35754   0.16623   0.98344
O3   0.46803   0.28632   0.27424
O4   0.29531   0.39994   0.02472
O-H1   0.26853   0.08673   0.33723
O-H2   0.23522   0.21782   0.62330
O-H3   0.46392   0.40724   0.60096
Wat1   0.03710   0.38414   0.65793
Wat2   0.19138   0.40815   0.31930