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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539859.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_1539859
loop_
_publ_author_name
'Currie, D.B.'
'Lanchester, P.C.'
'Weller, M.T.'
'Walia, R.'
_publ_section_title
;
 Superconductivity and crystal structure of Ln2Ba4Cu7O14+d (Ln= Er, Y, Ho,
 Dy, Nd). A high-resolution powder neutrondiffraction study
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  224
_journal_year                    1994
_chemical_formula_sum            'Ba4 Cu6.72 Nd2 O15.08'
_chemical_name_systematic        'Nd2 Ba4 Cu6.72 O15.08'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2 (z,x,y)'
_symmetry_space_group_name_H-M   'C m m m (c,a,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.89369
_cell_length_b                   3.90156
_cell_length_c                   50.67673
_cell_volume                     769.854
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Currie_PHYCE6_1994_1733.cif
_cod_data_source_block           Ba4Cu6.72Nd2O15.08
_cod_original_cell_volume        769.8538
_cod_original_sg_symbol_H-M      'A m m m'
_cod_database_code               1539859
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-z
x,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x,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
O3 O-2 0 0.5 0.08471 1 0.0
Ba2 Ba+2 0.5 0.5 0.1884 1 0.0
O6 O-2 0 0 0.19337 1 0.0
O4 O-2 0.5 0 0.14529 1 0.0
O8 O-2 0 0.5 0 0.58 0.0
Nd1 Nd+3 0.5 0.5 0.11556 1 0.0
O7 O-2 0 0.5 0.23296 1 0.0
Cu2 Cu+2 0 0 0.08106 1 0.0
Cu4 Cu+2 0 0 0.23034 1 0.0
O2 O-2 0.5 0 0.08488 1 0.0
Cu3 Cu+2 0 0 0.14956 1 0.0
O5 O-2 0 0.5 0.1455 1 0.0
O9 O-2 0.5 0 0 0.5 0.0
O1 O-2 0 0 0.03651 1 0.0
Ba1 Ba+2 0.5 0.5 0.04172 1 0.0
Cu1 Cu+2 0 0 0 0.72 0.0