#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531770.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_1531770
loop_
_publ_author_name
'Mochiku, T.'
'Mihara, Y.'
'Kamisawa, S.'
'Hata, Y.'
'Hirata, K.'
'Suzuki, J.'
'Kadowaki, K.'
'Fujii, H.'
_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            'Cu2 Fe O7.12 Sr2 Y'
_chemical_name_systematic        'Sr2 Y (Cu0.4 Fe0.6) (Cu0.8 Fe0.2)2 O7.12'
_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                   3.8388
_cell_length_b                   3.8388
_cell_length_c                   11.4822
_cell_volume                     169.206
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Mochiku_PHYCE6_2002_1215.cif
_cod_data_source_block           Cu2Fe1O7.12Sr2Y1
_cod_original_cell_volume        169.2061
_cod_original_formula_sum        'Cu2 Fe1 O7.12 Sr2 Y1'
_cod_database_code               1531770
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
Y1 Y+3 0.5 0.5 0.5 1 0.0
Cu1 Cu+2 0.067 0.067 0 0.1 0.0
O2 O-2 0 0 0.1577 1 0.0
Fe2 Fe+2 0 0 0.3509 0.2 0.0
O3 O-2 0 0.5 0.3736 1 0.0
Sr1 Sr+2 0.5 0.5 0.1938 1 0.0
O1 O-2 0.231 0.5 0 0.28 0.0
Fe1 Fe+2 0.067 0.067 0 0.15 0.0
Cu2 Cu+2 0 0 0.3509 0.8 0.0
