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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/1/52/08/1520852.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_1520852
loop_
_publ_author_name
'Bertrand, C.'
'Galez, P.'
'Jorda, J.L.'
'Gladyshevskii, R.E.'
_publ_section_title
;
 The Pr (Ba1-x Prx)2 Cu3 O7+d solid solution. A crystal structure and
 phase diagram study
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              151
_journal_page_last               161
_journal_volume                  321
_journal_year                    1999
_chemical_formula_sum            'Ba2 Cu3 O7 Pr'
_chemical_name_systematic        'Pr Ba2 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                   3.8605
_cell_length_b                   3.9243
_cell_length_c                   11.6993
_cell_volume                     177.242
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Bertrand_PHYCE6_1999_648.cif
_cod_data_source_block           Ba2Cu3O7Pr1
_cod_original_cell_volume        177.2416
_cod_original_formula_sum        'Ba2 Cu3 O7 Pr1'
_cod_database_code               1520852
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
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0 0.5 0 1 0.0
O4 O-2 0.5 0 0.383 1 0.0
O3 O-2 0 0.5 0.365 1 0.0
Pr1 Pr+3 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.1804 1 0.0
Cu2 Cu+2 0 0 0.3515 1 0.0
O2 O-2 0 0 0.168 1 0.0
