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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009300.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_9009300
_chemical_name 'Agardite-(Ce)'
loop_
_publ_author_name
'Hess H'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1983
_journal_year 1983
_journal_page_first 385
_journal_page_last 392
_publ_section_title
;
 Die kristallstruktur des chlorotils, SECu6(AsO4)3(OH)6*3H2O
 (SE = seltene erdmetalle)
 Locality: Clara mine, Black Forest, Baden-Wurttemberg, Germany
;
_chemical_formula_sum 'Ce.707 Cu6 As3 O21 H6.12'
_cell_length_a 13.605
_cell_length_b 13.605
_cell_length_c 5.917
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 948.482
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-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_occupancy
Ce   0.66667   0.33333   0.25000   0.70700
Cu   0.41091   0.31377   0.50230   1.00000
As   0.49393   0.14946   0.75000   1.00000
O1   0.57280   0.17920   0.51720   1.00000
O2   0.39140   0.39900   0.25000   1.00000
O3   0.41320   0.21370   0.75000   1.00000
O-H1   0.36920   0.37650   0.75000   1.00000
O-H2   0.43880   0.24320   0.25000   1.00000
Wat   0.16440   0.15510   0.46140   0.50000