#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/22/7222217.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_7222217
loop_
_publ_author_name
'Sasaki, Y.'
'Doi, Y.'
'Hinatsu, Y.'
_publ_section_title
;
 Magnetic and calorimetric studies of double perovskites Ba2 Ln Re O6 (Ln
 = Y, Nd, Sm-Lu)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2361
_journal_page_last               2366
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Ba2 O6 Re Y'
_chemical_name_systematic        'Ba2 Y (Re O6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.026
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9205
_cell_length_b                   5.9202
_cell_length_c                   8.375
_cell_volume                     293.548
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Sasaki_JMACEP_2002_1964.cif
_cod_data_source_block           Ba2O6Re1Y1
_cod_original_cell_volume        293.5482
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ba2 O6 Re1 Y1'
_cod_database_code               7222217
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
O2 O-2 0.21 0.71 0 1 0.0
Ba1 Ba+2 0.003 0.002 0.243 1 0.0
Y1 Y+3 0.5 0 0 1 0.0
O3 O-2 0.01 0.51 0.241 1 0.0
Re1 Re+5 0.5 0 0.5 1 0.0
O1 O-2 0.24 0.26 0 1 0.0
