#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2200912.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_2200912
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2002
_journal_volume  58
_journal_page_first  i21
_journal_page_last  i22
_publ_section_title
;
The intermetallic compound BaAgBi
;
loop_
_publ_author_name
  'Kang, Sung Kwon'
  'Miller, Gordon J.'
_chemical_formula_moiety  'Ag Ba Bi'
_chemical_formula_sum  'Ag Ba Bi'
_chemical_formula_weight  454.19
_symmetry_cell_setting  hexagonal
_symmetry_space_group_name_H-M  'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x-y, z'
  '-x+y, -x, z'
  '-x, -y, z+1/2'
  'y, -x+y, z+1/2'
  'x-y, x, z+1/2'
  'y, x, -z'
  'x-y, -y, -z'
  '-x, -x+y, -z'
  '-y, -x, -z+1/2'
  '-x+y, y, -z+1/2'
  'x, x-y, -z+1/2'
  '-x, -y, -z'
  'y, -x+y, -z'
  'x-y, x, -z'
  'x, y, -z-1/2'
  '-y, x-y, -z-1/2'
  '-x+y, -x, -z-1/2'
  '-y, -x, z'
  '-x+y, y, z'
  'x, x-y, z'
  'y, x, z-1/2'
  'x-y, -y, z-1/2'
  '-x, -x+y, z-1/2'
_cell_length_a  4.9423(7)
_cell_length_b  4.9423(7)
_cell_length_c  9.1251(18)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  120
_cell_volume  193.03(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  7.814
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
  Ba 0 0 0  .0094(7) Uani d S 1 . . Ba
  Ag  .3333  .6667  .25  .0157(9) Uani d S 1 . . Ag
  Bi  .3333  .6667  .75  .0091(7) Uani d S 1 . . Bi
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
  Ba  .0113(10)  .0113(10)  .0057(12)  .0057(5) 0 0
  Ag  .0120(11)  .0120(11)  .0231(18)  .0060(6) 0 0
  Bi  .0066(7)  .0066(7)  .0140(10)  .0033(4) 0 0
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
  Ba Bi 13_666 3.6533(4) y
  Ba Ag . 3.6533(4) y
  Ba Bi 1_444 3.6533(4) ?
  Ba Ag 13 3.6533(4) ?
  Ba Bi 13_566 3.6533(4) ?
  Ba Ag 1_545 3.6533(4) ?
  Ba Bi 1_544 3.6533(4) ?
  Ba Ag 13_565 3.6533(4) ?
  Ba Ag 1_445 3.6533(4) ?
  Ba Bi 13_556 3.6533(4) ?
  Ba Ag 13_665 3.6533(4) ?
  Ba Bi 1_554 3.6533(4) ?
  Ag Bi 13_676 2.8534(4) y
  Ag Bi 13_566 2.8534(4) ?
  Ag Bi 13_666 2.8534(4) ?
  Ag Ba 4_665 3.6533(4) ?
  Ag Ba 1_565 3.6533(4) ?
  Ag Ba 4_565 3.6533(4) ?
  Ag Ba 4 3.6533(4) ?
  Ag Ba 1_665 3.6533(4) ?
  Bi Ag 13_676 2.8534(4) ?
  Bi Ag 13_566 2.8534(4) ?
  Bi Ag 13_666 2.8534(4) ?
  Bi Ba 1_666 3.6533(4) ?
  Bi Ba 4 3.6533(4) ?
  Bi Ba 4_565 3.6533(4) ?
  Bi Ba 1_566 3.6533(4) ?
  Bi Ba 1_556 3.6533(4) ?
  Bi Ba 4_665 3.6533(4) ?
_cod_database_code 2200912