#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540811.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_1540811
loop_
_publ_author_name
'Uchinokura, K.'
'Izumi, M.'
'Maeda, A.'
'Yabe, T.'
'Tanaka, S.'
_publ_section_title
;
 Superconductivity, crystal structure and orthorhombictetragonal phase
 transition in 90 K superconductor orthorhombic La Ba2 Cu3 Oy
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              2109
_journal_page_last               2110
_journal_volume                  26
_journal_year                    1987
_chemical_formula_sum            'Ba2 Cu3 La O6.7'
_chemical_name_systematic        'La Ba2 Cu3 O6.7'
_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                   3.8973
_cell_length_b                   3.9337
_cell_length_c                   11.7911
_cell_volume                     180.767
_citation_journal_id_ASTM        JJAPA5
_cod_data_source_file            Uchinokura_JJAPA5_1987_277.cif
_cod_data_source_block           Ba2Cu3La1O6.7
_cod_original_cell_volume        180.7671
_cod_original_formula_sum        'Ba2 Cu3 La1 O6.7'
_cod_database_code               1540811
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
Ba1 Ba+2 0.5 0.5 0.1801 1 0.0
Cu2 Cu+2 0 0 0.3441 1 0.0
O3 O-2 0 0 0.158 1 0.0
O4 O-2 0.5 0 0.359 1 0.0
O1 O-2 0 0.5 0 0.57 0.0
La1 La+3 0.5 0.5 0.5 1 0.0
O2 O-2 0.5 0 0 0.13 0.0
O5 O-2 0 0.5 0.359 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
