#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531768.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_1531768
loop_
_publ_author_name
'Mochiku, T.'
'Mihara, Y.'
'Hata, Y.'
'Suzuki, J.'
'Hirata, K.'
'Kadowaki, K.'
'Fujii, H.'
'Kamisawa, S.'
_publ_section_title
;
 Crystal structure of the Sr2 Y Cu2 Fe O6+d system
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  378
_journal_year                    2002
_chemical_formula_sum            'Cu1.98 Fe1.02 O7.36 Sr2 Y'
_chemical_name_systematic
'Sr2 Y (Cu0.48 Fe0.52) (Cu0.75 Fe0.25)2 O7.36'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8338
_cell_length_b                   3.8338
_cell_length_c                   11.4213
_cell_volume                     167.871
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Mochiku_PHYCE6_2002_1214.cif
_cod_data_source_block           Cu1.98Fe1.02O7.36Sr2Y1
_cod_original_cell_volume        167.8705
_cod_original_formula_sum        'Cu1.98 Fe1.02 O7.36 Sr2 Y1'
_cod_database_code               1531768
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Fe2 Fe+2 0 0 0.3498 0.25 0.0
O3 O-2 0 0.5 0.3734 1 0.0
O2 O-2 0 0 0.1602 1 0.0
Cu1 Cu+2 0.044 0.044 0 0.12 0.0
O1 O-2 0.13 0.5 0 0.34 0.0
Cu2 Cu+2 0 0 0.3498 0.75 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
Sr1 Sr+2 0.5 0.5 0.1875 1 0.0
Fe1 Fe+2 0.044 0.044 0 0.13 0.0
