#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000050.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_1000050

_chemical_name_systematic          'Potassium chloride'
_chemical_formula_structural       'K Cl'
_chemical_formula_sum              'Cl K'

_publ_section_title
;
Energiedispersion und Synchrotronstrahlung: Eine neue Methode und eine
neue Strahlenquelle fuer die Roentgenbeugung
;
loop_
_publ_author_name                  'Will, G'
_journal_name_full                 'Fortschritte der Mineralogie'
_journal_coden_ASTM                FMRLAL
_journal_volume                    59
_journal_year                      1981
_journal_page_first                31
_journal_page_last                 94

_cell_length_a                     3.634(4)
_cell_length_b                     3.634(4)
_cell_length_c                     3.634(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       48.0
_cell_formula_units_Z              1

_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
_symmetry_cell_setting             cubic

loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '-x,-z,-y'
  '-y,-x,-z'
  '-z,-y,-x'
  '-x,y,z'
  '-y,z,x'
  '-z,x,y'
  '-x,z,y'
  '-y,x,z'
  '-z,y,x'
  'x,-y,z'
  'y,-z,x'
  'z,-x,y'
  'x,-z,y'
  'y,-x,z'
  'z,-y,x'
  'x,y,-z'
  'y,z,-x'
  'z,x,-y'
  'x,z,-y'
  'y,x,-z'
  'z,y,-x'

loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Cl1-  -1.000

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+    1 a 0. 0. 0. 1.  0 d
  Cl1   Cl1-   1 b 0.5 0.5 0.5 1.  0 d

_refine_ls_R_factor_all            0.037



_cod_database_code 1000050