#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2008114.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_2008114
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  13
_journal_page_last  14
_publ_section_title
;
Potassium Tetrabromoaurate(III)
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Omrani, Hedi'
  'Welter, Richard'
  'Vangelisti, Rene'
_chemical_name_common  'Potassium bromoaurate'
_chemical_formula_moiety  'Au Br4 K'
_chemical_formula_sum  'Au Br4 K'
_chemical_formula_iupac  'K Au Br4'
_chemical_formula_weight  555.71
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  9.0306(10)
_cell_length_b  6.6484(10)
_cell_length_c  12.800(2)
_cell_angle_alpha  90.00
_cell_angle_beta  96.880(10)
_cell_angle_gamma  90.00
_cell_volume  762.97(19)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.838
_exptl_crystal_density_meas  4.833
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Au1 0 0 0 0.02609(18) Uani 2 d 1 S . Au
  Au2 0.5 0 0 0.02917(19) Uani 2 d 1 S . Au
  K 0.2128(4) 0.4492(6) 0.1813(3) 0.0528(9) Uani 1 d 1 . . K
  Br1 -0.13341(19) 0.2934(2) 0.04766(12) 0.0463(4) Uani 1 d 1 . . Br
  Br2 0.09492(19) -0.0538(3) 0.18234(11) 0.0442(4) Uani 1 d 1 . . Br
  Br3 0.5056(2) 0.1517(3) 0.17070(13) 0.0604(5) Uani 1 d 1 . . Br
  Br4 0.6635(2) -0.2664(3) 0.07207(13) 0.0516(4) Uani 1 d 1 . . Br
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
  Au1 0.0299(4) 0.0258(4) 0.0234(3) 0.0000(3) 0.0066(2) 0.0007(3)
  Au2 0.0284(4) 0.0286(4) 0.0312(4) 0.0057(4) 0.0067(3) 0.0015(4)
  K 0.053(2) 0.046(2) 0.056(2) 0.0028(17) -0.0050(17) 0.0021(17)
  Br1 0.0568(9) 0.0416(8) 0.0418(8) 0.0137(8) 0.0117(7) -0.0048(7)
  Br2 0.0578(10) 0.0456(9) 0.0286(7) 0.0043(7) 0.0017(6) 0.0026(6)
  Br3 0.0616(11) 0.0764(13) 0.0426(9) 0.0281(10) 0.0039(7) -0.0136(9)
  Br4 0.0624(10) 0.0433(9) 0.0476(9) 0.0238(8) 0.0001(7) 0.0029(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Au1 Br1 . 2.4096(15) Y
  Au1 Br1 3 2.4096(15) N
  Au1 Br2 . 2.4146(15) Y
  Au1 Br2 3 2.4146(15) N
  Au1 K . 4.114(4) Y
  Au1 K 3 4.114(4) N
  Au2 Br3 3_655 2.4016(17) N
  Au2 Br3 . 2.4016(17) Y
  Au2 Br4 3_655 2.4172(15) N
  Au2 Br4 . 2.4172(15) Y
  K Br3 2_655 3.274(4) Y
  K Br3 . 3.318(4) Y
  K Br1 3_565 3.395(4) Y
  K Br2 2 3.454(4) Y
  K Br2 1_565 3.472(4) Y
  K Br2 . 3.510(4) Y
  K Br4 2_655 3.525(4) Y
  K Br1 . 3.534(4) Y
  K Br4 3_655 3.756(4) Y
  Br1 K 3_565 3.395(4) N
  Br2 K 2_545 3.454(4) N
  Br2 K 1_545 3.472(4) N
  Br3 K 2_645 3.274(4) N
  Br4 K 2_645 3.525(4) N
  Br4 K 3_655 3.756(4) N