#------------------------------------------------------------------------------
#$Date: 2015-10-14 14:42:17 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168529 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/95/1539582.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_1539582
loop_
_publ_author_name
'Andersson, M.'
'Rapp, O.'
'Tellgren, R.'
_publ_section_title
;
 Neutron diffraction studies of Ca-Pr doped YBa2Cu3 O7-delta
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              105
_journal_page_last               110
_journal_volume                  205
_journal_year                    1993
_chemical_formula_sum            'Ba2 Ca0.1 Cu3 O7 Pr0.1 Y0.8'
_chemical_name_systematic        '(Y.8 Ca.1 Pr.1) 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                   3.8331
_cell_length_b                   3.8897
_cell_length_c                   11.6923
_cell_volume                     174.328
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Andersson_PHYCE6_1993_1571.cif
_cod_data_source_block           Ba2Ca0.1Cu3O7Pr0.1Y0.8
_cod_original_cell_volume        174.3276
_cod_database_code               1539582
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
Cu2 Cu+2 0 0 0.3557 1 0.0
O1 O-2 0 0.5 0 0.96 0.0
Ba1 Ba+2 0.5 0.5 0.1851 1 0.0
O4 O-2 0 0 0.1577 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0 0.5 0.3775 1 0.0
O5 O-2 0.5 0 0 0.04 0.0
Y1 Y+3 0.5 0.5 0.5 0.8 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.1 0.0
O2 O-2 0.5 0 0.3767 1 0.0
Pr1 Pr+3 0.5 0.5 0.5 0.1 0.0
