#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004772.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_9004772
_chemical_name 'K5Na2Cu24(CO3)16Cl3(OH)20(H2O)12'
loop_
_publ_author_name
'Sokolova E V'
'Hawthorne F C'
'Roberts A C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 41
_journal_year 2003
_journal_page_first 926
_journal_page_last 936
_publ_section_title
;
 The crystal structure of an anthropogenic Cu-K-Na-hydro-hyddroxyl-carbonate-chl
 from Johanngeorgenstadt, Saxony, Germany
 Locality: Johanngeorgenstadt, Saxony, Germany
;
_chemical_formula_sum 'Cu12 Na K2.5 C8 Cl1.5 O40 H22'
_cell_length_a 15.463
_cell_length_b 15.463
_cell_length_c 15.463
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3697.271
_symmetry_space_group_name_H-M 'F 2 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-z,-x,y'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  '-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '-y,-z,x'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Cu   0.92670   0.92681   0.78540   1.00000   0.03530
Na   0.25000   0.25000   0.25000   1.00000   0.04400
K   0.38380   0.61620   0.61620   0.62500   0.06000
C(1)   0.09230   0.90770   0.90770   1.00000   0.01600
C(2)   0.86620   0.86620   0.63390   1.00000   0.02300
Cl(1)   0.50000   0.50000   0.50000   1.00000   0.04500
Cl(2)   0.75000   0.75000   0.75000   0.50000   0.03800
O(1)   0.87460   0.02350   0.87520   1.00000   0.02700
O(2A)   0.85260   0.81410   0.57390   0.50000   0.03600
O(2B)   0.81340   0.85310   0.57450   0.50000   0.03700
O(3)   0.85270   0.85270   0.85270   1.00000   0.01400
O(4)  -0.01990   0.02050   0.72500   0.50000   0.03800
O(5W)   0.09390   0.25000   0.25000   1.00000   0.05400
H(1)   0.81600   0.81600   0.81600   1.00000   0.02200
H(2)   0.00000   0.00000   0.66700   1.00000   0.06000
H(3)   0.06000   0.21000   0.22000   1.00000   0.08100