data_global
_amcsd_formula_title '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 929
_journal_page_last 936
_publ_section_title
;
 The crystal structure of an anthropogenic Cu-K-Na-hydro-hyddroxyl-carbonate-chloride
 from Johanngeorgenstadt, Saxony, Germany
;
_database_code_amcsd 0005865
_chemical_compound_source '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
_exptl_crystal_density_diffrn      3.045
_symmetry_space_group_name_H-M 'F 2 3'
loop_
_space_group_symop_operation_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_U_iso_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
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu 0.04270 0.04260 0.02070 -0.02220 0.00000 -0.00030
Na 0.04400 0.04400 0.04400 0.00000 0.00000 0.00000
K 0.06000 0.06000 0.06000 0.01000 0.01000 -0.01000
C(1) 0.01600 0.01600 0.01600 -0.00500 -0.00500 0.00500
C(2) 0.02300 0.02300 0.02300 0.00200 -0.00200 -0.00200
Cl(1) 0.04500 0.04500 0.04500 0.00000 0.00000 0.00000
Cl(2) 0.03800 0.03800 0.03800 0.00000 0.00000 0.00000
O(1) 0.02800 0.02700 0.02600 -0.01100 0.00400 -0.01100
O(2A) 0.03400 0.03200 0.03600 0.00700 -0.00700 0.00300
O(2B) 0.03900 0.02800 0.04300 0.00900 -0.00100 -0.00300
O(3) 0.01400 0.01400 0.01400 -0.00300 -0.00300 -0.00300
O(4) 0.06000 0.03400 0.02300 -0.02800 0.00700 -0.00700
O(5W) 0.04900 0.05500 0.05800 0.00000 0.00000 -0.01800