#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002562.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_4002562
loop_
_publ_author_name
'Yang, L.T.'
'Liang, J.K.'
'Feng, X.M.'
'Liu, Q.L.'
'Yang, H.F.'
'Fan, H.M.'
'Song, G.B.'
'Rao, G.H.'
_publ_section_title
;
 Systematic study on crystal structure and properties of Fe Sr2 Ln Cu2
 O7+d (Ln = La, Nd, Sm, Eu, Gd, Dy, Ho, Er and Yb)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4987
_journal_page_last               4995
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Cu1.999 Fe1.001 Nd O7.38 Sr2'
_chemical_name_systematic
;
Sr2 Nd ((Fe0.667 Cu0.333) (Cu0.833 Fe0.167)2 O7.38)
;
_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                   3.8633
_cell_length_b                   3.8633
_cell_length_c                   11.4867
_cell_volume                     171.440
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Yang_CMATEX_2003_1239.cif
_cod_data_source_block           Cu1.999Fe1.001Nd1O7.38Sr2
_cod_original_cell_volume        171.44
_cod_original_formula_sum        'Cu1.999 Fe1.001 Nd1 O7.38 Sr2'
_cod_database_code               4002562
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
O3 O-2 0 0.5 0.3681 1 0.0
Sr1 Sr+2 0.5 0.5 0.1861 1 0.0
Cu1 Cu+2 0 0 0 0.333 0.0
Fe1 Fe+3 0 0 0 0.667 0.0
Cu2 Cu+2 0 0 0.3427 0.833 0.0
O1 O-2 0 0.5 0 0.69 0.0
Fe2 Fe+3 0 0 0.3427 0.167 0.0
Nd1 Nd+3 0.5 0.5 0.5 1 0.0
O2 O-2 0 0 0.1585 1 0.0
