#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008879.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_1008879
_chemical_name_systematic          'Pentapotassium diarsenidocuprate'
_chemical_formula_structural       'K5 (Cu As2)'
_chemical_formula_sum              'As2 Cu K5'
_publ_section_title
;
Linear anions (CuAs2)5-, (AuP/2)5- and (AuAs2)5in potassium compounds
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
  'Somer, M'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    178
_journal_year                      1992
_journal_page_first                431
_journal_page_last                 439
_cell_length_a                     5.377(2)
_cell_length_b                     5.377(2)
_cell_length_c                     18.771(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       470.0
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.54
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Cu1+   1.000
  As3-  -3.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  K1    K1+    4 f 0.3333 0.6667 0.5498(2) 1.  0 d
  K2    K1+    4 e 0. 0. 0.1457(4) 1.  0 d
  K3    K1+    2 d 0.3333 0.6667 0.75 1.  0 d
  Cu1   Cu1+   2 c 0.3333 0.6667 0.25 1.  0 d
  As1   As3-   4 f 0.3333 0.6667 0.3729(1) 1.  0 d
_refine_ls_R_factor_all            0.063