#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/4000567.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_4000567
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_formula_sum    'Ba Cu2 Se4 Sn'
_chemical_formula_weight          698.95
_symmetry_cell_setting            orthorhombic
_symmetry_space_group_name_H-M    'A m a 2'
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, z'
 'x+1/2, -y, z'
 '-x+1/2, y, z'
 'x, y+1/2, z+1/2'
 '-x, -y+1/2, z+1/2'
 'x+1/2, -y+1/2, z+1/2'
 '-x+1/2, y+1/2, z+1/2'
_cell_length_a                    11.1215(13)
_cell_length_b                    11.2373(13)
_cell_length_c                    6.7531(8)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      843.97(17)
_cell_formula_units_Z             4
_cell_measurement_temperature     298(2)
_exptl_crystal_density_diffrn     5.501
_diffrn_ambient_temperature       298(2)
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Ba Ba 0.0000 0.5000 0.13985(7) 0.01472(8) Uani 1 2 d S . .
Sn Sn 0.2500 0.35264(4) 0.72714(6) 0.01219(9) Uani 1 2 d S . .
Cu Cu 0.12848(6) 0.21466(6) 0.22667(11) 0.02332(14) Uani 1 1 d . . .
Se1 Se 0.07158(4) 0.24775(4) 0.88233(9) 0.01365(9) Uani 1 1 d . . .
Se2 Se 0.2500 0.55889(6) 0.88517(11) 0.01334(12) Uani 1 2 d S . .
Se3 Se 0.2500 0.38993(6) 0.35947(10) 0.01331(12) Uani 1 2 d S . .
_cod_database_code 4000567