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#$Date: 2016-01-03 10:52:12 +0100 (dom 03 de ene de 2016) $
#$Revision: 172602 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/13/1541306.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_1541306
loop_
_publ_author_name
'Newsam, J.M.'
'Jacobson, A.J.'
'Goshorn, D.P.'
'Lewandowski, J.T.'
'Mitzi, D.B.'
'Xie, D.'
'Kapitulnik, A.'
'Yelon, W.B.'
_publ_section_title
;
 Orthorhombic and tetragonal structures in the La (Ba2-y Lay) Cu3 O7-x
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              1064
_journal_page_last               1079
_journal_volume                  32
_journal_year                    1989
_chemical_formula_sum            'Ba0.2625 Cu3 La0.9975 O7.05'
_chemical_name_systematic        'La.98 (Ba.2625 La.0175) Cu3 O7.05'
_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                   3.8971
_cell_length_b                   3.9304
_cell_length_c                   11.772
_cell_volume                     180.314
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Newsam_SSIOD3_1989_1940.cif
_cod_data_source_block           Ba0.2625Cu3La0.9975O7.05
_cod_original_cell_volume        180.3136
_cod_database_code               1541306
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 0.68 0.0
O3 O-2 0 0.5 0.3677 1 0.0
Ba1 Ba+2 0.5 0.5 0.1826 0.1313 0.0
La1 La+3 0.5 0.5 0.5 0.98 0.0
O4 O-2 0 0 0.1551 1 0.0
O5 O-2 0.5 0 0 0.37 0.0
La2 La+3 0.5 0.5 0.1826 0.0087 0.0
O2 O-2 0.5 0 0.3653 1 0.0
Cu1 Cu+3 0 0 0 1 0.0
Cu2 Cu+3 0 0 0.3455 1 0.0
