#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/05/4000566.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_4000566
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050102u
_journal_year                    2005
_chemical_formula_sum            'Ag2 Ba Se4 Sn'
_chemical_formula_weight         787.61
_space_group_IT_number           23
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1154(7)
_cell_length_b                   7.4994(7)
_cell_length_c                   8.3375(8)
_cell_measurement_temperature    298(2)
_cell_volume                     444.90(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    5.879
_cod_database_code               4000566
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
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 0.0000 0.0000 0.01792(12) Uani 1 4 d S . .
Sn Sn 0.0000 0.0000 0.5000 0.01466(12) Uani 1 4 d S . .
Ag Ag 0.0000 0.5000 0.19269(11) 0.04206(19) Uani 1 2 d S . .
Se Se 0.20515(6) 0.19588(5) 0.32798(6) 0.01770(12) Uani 1 1 d . . .
