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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/47/1534701.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_1534701
loop_
_publ_author_name
'Lopez-Morales, M.E.'
'la Placa, S.J.'
'Rios-Jara, D.'
'Taguena, J.'
'Escudero, R.'
'Bezinge, A.'
'Lee, V.Y.'
'Engler, E.M.'
'Grant, P.M.'
_publ_section_title
;
 Role of oxygen in Pr Ba2 Cu3 O7-y: effect on structural and physical
 properties
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6655
_journal_page_last               6657
_journal_volume                  41
_journal_year                    1990
_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                   3.8654
_cell_length_b                   3.9309
_cell_length_c                   11.725
_cell_volume                     178.156
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Lopez-Morales_PRBMDO_1990_1823.cif
_cod_data_source_block           Ba2Cu3O7Pr1
_cod_original_cell_volume        178.1555
_cod_original_formula_sum        'Ba2 Cu3 O7 Pr1'
_cod_database_code               1534701
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
O2 O-2 0 0 0.1581 1 0.0
O4 O-2 0.5 0 0.3739 1 0.0
Ba1 Ba+2 0.5 0.5 0.188 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0 0.5 0 1 0.0
Pr1 Pr+3 0.5 0.5 0.5 1 0.0
O3 O-2 0 0.5 0.3726 1 0.0
Cu2 Cu+2 0 0 0.3485 1 0.0
