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#$Date: 2015-07-06 23:27:17 +0300 (Mon, 06 Jul 2015) $
#$Revision: 140409 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/08/1520853.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_1520853
loop_
_publ_author_name
'Bertrand, C.'
'Jorda, J.L.'
'Galez, P.'
'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            'Ba1.7 Cu3 O7.4 Pr1.3'
_chemical_name_systematic        'Pr (Ba0.85 Pr0.15)2 Cu3 O7.4'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8928
_cell_length_b                   3.8928
_cell_length_c                   11.6424
_cell_volume                     176.428
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Bertrand_PHYCE6_1999_649.cif
_cod_data_source_block           Ba1.7Cu3O7.4Pr1.3
_cod_original_cell_volume        176.4277
_cod_database_code               1520853
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
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
Ba1 Ba+2 0.5 0.5 0.1795 0.85 0.0
O2 O-2 0 0 0.169 1 0.0
Pr2 Pr+3 0.5 0.5 0.5 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0.5 0 0.379 1 0.0
O1 O-2 0 0.5 0 0.7 0.0
Pr1 Pr+3 0.5 0.5 0.1795 0.15 0.0
Cu2 Cu+2 0 0 0.3503 1 0.0
