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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/75/1527526.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_1527526
loop_
_publ_author_name
'Hong, H.Y.-P.'
'Steinfink, H.'
_publ_section_title
;
 The crystal chemistry of phases in the Ba-Fe-S and Se systems
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              93
_journal_page_last               104
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'Ba3 Fe3 Se7'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.843
_cell_length_b                   10.843
_cell_length_c                   7.384
_cell_volume                     751.833
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hong_JSSCBI_1972_1984.cif
_cod_data_source_block           Ba3Fe3Se7
_cod_original_cell_volume        751.8328
_cod_database_code               1527526
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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+2 0.2458 0.4916 0.486 1 0.0
Se1 Se-2 0.4573 0.9146 0.311 1 0.0
Se2 Se-2 0.1252 0.2504 0.5895 1 0.0
Se3 Se-2 0.3333 0.6667 0.738 1 0.0
Ba1 Ba+2 0.1911 0.3822 0 1 0.0
