#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/92/1509225.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_1509225
loop_
_publ_author_name
'Ibers, J.A.'
'Christuk, A.E.'
'Wu, P.'
_publ_section_title
;
 New quaternary chalcogenides BaLnMQ3 (Ln=rare earth or Sc; M=Cu,Ag;
 Q=S,Se). II. Structure and property variation vs rare-earth element
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              337
_journal_page_last               344
_journal_paper_doi               10.1006/jssc.1994.1177
_journal_volume                  110
_journal_year                    1994
_chemical_formula_sum            'Ag Ba Se3 Y'
_chemical_name_systematic        'Ba Y Ag Se3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.239
_cell_length_b                   14.03
_cell_length_c                   10.636
_cell_volume                     632.557
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver1-2_73.cif
_cod_data_source_block           Ag1Ba1Se3Y1
_cod_original_cell_volume        632.5566
_cod_original_formula_sum        'Ag1 Ba1 Se3 Y1'
_cod_database_code               1509225
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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_occupancy
_atom_site_U_iso_or_equiv
Y1 Y+3 0 0 0 1 0.0
Se1 Se-2 0 0.63717 0.04913 1 0.0
Ag1 Ag+1 0 0.53155 0.25 1 0.0
Se2 Se-2 0 0.0787 0.75 1 0.0
Ba1 Ba+2 0 0.24967 0.25 1 0.0
