#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008470.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_1008470
_chemical_name_systematic          'Potassium tin antimonide'
_chemical_formula_structural       'K Sn Sb'
_chemical_formula_sum              'K Sb Sn'
_publ_section_title
;
Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender
isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie
eine Einkristallstrukturbestimmung von KSnSb
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    598
_journal_year                      1991
_journal_page_first                93
_journal_page_last                 102
_cell_length_a                     4.350(2)
_cell_length_b                     4.350(2)
_cell_length_c                     13.141(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       215.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_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,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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Sn2+   2.000
  Sb3-  -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+    2 b 0.3333 0.6667 0.7018(9) 1.  0 d
  Sn1   Sn2+   2 a 0. 0. 0. 1.  0 d
  Sb1   Sb3-   2 b 0.3333 0.6667 0.3923(3) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  K1    0.0310(26) 0.0155(13) 0. 0.0310(26) 0. 0.0211(37)
  Sn1   0.0176(7) 0.0088(3) 0. 0.0176(7) 0. 0.0152(10)
  Sb1   0.0159(6) 0.0079(3) 0. 0.0159(6) 0. 0.018(1)
_refine_ls_R_factor_all            0.034
_cod_database_code 1008470