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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521003.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_1521003
loop_
_publ_author_name
'Deng, H.'
'Zhao, Z.-X.'
'Dong, C.'
'Chen, H.'
'Wu, F.'
'Jia, S.-L.'
'Shen, J.-C.'
_publ_section_title
;
 Structural refinement of RE2 A Cu2 O6 from powder X-ray diffraction data
 (RE = La, Nd, A = Sr, Ca)
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              285
_journal_page_last               293
_journal_volume                  313
_journal_year                    1999
_chemical_formula_sum            'Cu2 La Nd O6 Sr'
_chemical_name_systematic        'Nd (La Sr) Cu2 O6'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8532
_cell_length_b                   3.8532
_cell_length_c                   19.7463
_cell_volume                     293.176
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Deng_PHYCE6_1999_593.cif
_cod_data_source_block           Cu2La1Nd1O6Sr1
_cod_original_cell_volume        293.1763
_cod_original_formula_sum        'Cu2 La1 Nd1 O6 Sr1'
_cod_database_code               1521003
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
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Nd1 Nd+3 0 0 0 1 0.0
La1 La+3 0 0 0.1791 0.5 0.0
Cu1 Cu+2 0 0 0.5919 1 0.0
Sr1 Sr+2 0 0 0.1791 0.5 0.0
O2 O-2 0 0 0.7036 1 0.0
O1 O-2 0 0.5 0.0942 1 0.0
