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#$Date: 2015-10-13 19:03:33 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167380 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/87/1538703.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_1538703
loop_
_publ_author_name
'Kinoshita, K.'
'Matsuda, A.'
'Shibata, H.'
'Watanabe, T.'
'Ishii, T.'
'Yamada, T.'
_publ_section_title
;
 Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y
;
_journal_name_full               'Japanese Journal of Applied Physics, Part 2'
_journal_page_first              1642
_journal_page_last               1645
_journal_volume                  27
_journal_year                    1988
_chemical_formula_sum            'Ba1.964 Cu3 O7 Pr1.036'
_chemical_name_systematic        'Ba1.964 Pr1.036 Cu3 O7'
_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                   3.861
_cell_length_b                   3.908
_cell_length_c                   11.694
_cell_volume                     176.448
_citation_journal_id_ASTM        JAPLD8
_cod_data_source_file            Kinoshita_JAPLD8_1988_1999.cif
_cod_data_source_block           Ba1.964Cu3O7Pr1.036
_cod_original_cell_volume        176.4483
_cod_database_code               1538703
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
O2 O-2 0 0 0.161 1 0.0
Pr2 Pr+4 0.5 0.5 0.5 1 0.0
O4 O-2 0.5 0 0.421 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Pr1 Pr+3 0.5 0.5 0.172 0.018 0.0
O3 O-2 0 0.5 0.333 1 0.0
Ba1 Ba+2 0.5 0.5 0.172 0.982 0.0
O1 O-2 0.5 0 0 1 0.0
Cu2 Cu+2 0 0 0.358 1 0.0
