#------------------------------------------------------------------------------
#$Date: 2015-10-05 13:10:12 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159881 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/36/1533620.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_1533620
loop_
_publ_author_name
'Song Gongbao'
'Chen, J.R.'
'Liang Jingkui'
'Yang Lintao'
'Liu, G.Y.'
'Rao Guanghui'
'Yang, H.F.'
_publ_section_title
;
 Subsolidus phase relation and crystal structure in the Pr1+x-y Ba2-x-z
 Cay+z Cu3 O7+d system
;
_journal_name_full               'Appl. Phys. A'
_journal_page_first              915
_journal_page_last               921
_journal_volume                  77
_journal_year                    2003
_chemical_formula_sum            'Ba1.85 Cu3 O7.21 Pr1.15'
_chemical_name_systematic        'Pr (Pr0.15 Ba1.85) (Cu3 O7.21)'
_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                   3.9167
_cell_length_b                   3.8787
_cell_length_c                   11.7144
_cell_volume                     177.962
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            SongGongbao_APAMFC_2003_1206.cif
_cod_data_source_block           Ba1.85Cu3O7.21Pr1.15
_cod_original_cell_volume        177.9617
_cod_database_code               1533620
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
Pr2 Pr+3 0.5 0.5 0.1812 0.075 0.0
Cu2 Cu+2 0 0 0.3467 1 0.0
Ba1 Ba+2 0.5 0.5 0.1812 0.925 0.0
O2 O-2 0.5 0 0 1 0.0
O1 O-2 0 0.5 0 0.21 0.0
O5 O-2 0.5 0 0.381 1 0.0
Pr1 Pr+3 0.5 0.5 0.5 1 0.0
O3 O-2 0 0 0.153 1 0.0
O4 O-2 0 0.5 0.3561 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
