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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/93/1509336.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_1509336
loop_
_publ_author_name
'Giester, G.'
_publ_section_title
;
 Syntheses and crystal structures of the new compounds Ba Fe2 (Se O3)4, Ag
 Fe (Se O3)2 and Rb Fe (Se O4) (Se O3)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              71
_journal_page_last               76
_journal_paper_doi               10.1016/S0925-8388(00)00848-3
_journal_volume                  308
_journal_year                    2000
_chemical_formula_sum            'Ag Fe O6 Se2'
_chemical_name_systematic        'Ag Fe (Se O3)2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.975
_cell_length_b                   5.249
_cell_length_c                   7.609
_cell_volume                     558.156
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver1-2_258.cif
_cod_data_source_block           Ag1Fe1O6Se2
_cod_original_cell_volume        558.1565
_cod_original_formula_sum        'Ag1 Fe1 O6 Se2'
_cod_database_code               1509336
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
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
Fe1 Fe+3 0.12599 0.29117 0.6951 1 0.0
O4 O-2 0.2616 -0.0022 0.2625 1 0.0
Se1 Se+4 0.47319 0.30206 0.013 1 0.0
O6 O-2 0.163 0.3314 0.4387 1 0.0
Ag1 Ag+1 0.3789 0.13675 0.68389 1 0.0
O5 O-2 0.2865 0.487 0.2053 1 0.0
O2 O-2 0.4879 0.5767 0.1279 1 0.0
O3 O-2 0.4627 0.0891 0.1799 1 0.0
O1 O-2 0.5876 0.2431 -0.0499 1 0.0
Se2 Se+4 0.27694 0.2726 0.37401 1 0.0
