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#$Date: 2015-09-28 14:52:18 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158798 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532811.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_1532811
loop_
_publ_author_name
'Wuernisha, T.'
'Takahashi, Y.'
'Sekizawa, K.'
'Takase, K.'
'Takano, Y.'
_publ_section_title
;
 Effects of Sr substitution for Ba on the crystal structure, oxygen
 content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              216
_journal_page_last               220
_journal_volume                  377
_journal_year                    2004
_chemical_formula_sum            'Ba1.8 Cu3 Nd O6.96 Sr0.2'
_chemical_name_systematic        'Nd Ba1.8 Sr0.2 (Cu3 O6.96)'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8646
_cell_length_b                   3.9043
_cell_length_c                   11.741
_cell_volume                     177.155
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Wuernisha_JALCEU_2004_1537.cif
_cod_data_source_block           Ba1.8Cu3Nd1O6.96Sr0.2
_cod_original_cell_volume        177.1548
_cod_chemical_formula_sum_orig   'Ba1.8 Cu3 Nd1 O6.96 Sr0.2'
_cod_database_code               1532811
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
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
Sr2 Sr+2 0.5 0.5 0.1816 0.096 0.0
O1 O-2 0 0 0.1622 1 0.0
Cu2 Cu+2 0 0 0.3499 1 0.0
Ba1 Ba+2 0.5 0.5 0.1816 0.9 0.0
Sr1 Sr+2 0.5 0.5 0.5 0.004 0.0
Cu1 Cu+2 0 0 0 1 0.0
O2 O-2 0 0.5 0.33719 1 0.0
O5 O-2 0.5 0 0 0.04 0.0
O3 O-2 0.5 0 0.3702 1 0.0
O4 O-2 0 0.5 0 0.92 0.0
Nd1 Nd+3 0.5 0.5 0.5 0.996 0.0
Nd2 Nd+3 0.5 0.5 0.1816 0.004 0.0