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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/1/53/36/1533649.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_1533649
loop_
_publ_author_name
'Song, G.B.'
'Yang, L.T.'
'Liang, J.K.'
'Chen, J.R.'
'Yang, H.F.'
'Rao, G.H.'
'Liu, G.Y.'
_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            'Ba1.9 Ca0.1 Cu3 O7.128 Pr'
_chemical_name_systematic        '(Pr0.9 Ca0.1) (Ba1.9 Pr0.1) (Cu3 O7.128)'
_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                   3.9036
_cell_length_b                   3.895
_cell_length_c                   11.7308
_cell_volume                     178.361
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            Song_APAMFC_2003_1210.cif
_cod_data_source_block           Ba1.9Ca0.1Cu3O7.128Pr1
_cod_original_cell_volume        178.3612
_cod_original_formula_sum        'Ba1.9 Ca0.1 Cu3 O7.128 Pr1'
_cod_database_code               1533649
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
O1 O-2 0 0.5 0 0.1279 0.0
Cu1 Cu+3 0 0 0 1 0.0
O3 O-2 0 0 0.1513 1 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.1 0.0
Pr1 Pr+3 0.5 0.5 0.5 0.9 0.0
O5 O-2 0.5 0 0.3728 1 0.0
Cu2 Cu+2 0 0 0.3492 1 0.0
Ba1 Ba+2 0.5 0.5 0.1813 0.95 0.0
O2 O-2 0.5 0 0 1 0.0
O4 O-2 0 0.5 0.3649 1 0.0
Pr2 Pr+3 0.5 0.5 0.1813 0.05 0.0
