#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/94/1539441.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_1539441
loop_
_publ_author_name
'Achiwa, N.'
_publ_section_title
;
 Crystal structural study by Rietveld method
;
_journal_name_full               'Kyoto Daigaku Genshiro Jikkensho'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Ba2.8 Cu3.5 La O9'
_chemical_name_systematic        'La Ba2.8 Cu3.5 O9'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.914
_cell_length_b                   3.914
_cell_length_c                   11.7194
_cell_volume                     179.534
_citation_journal_id_ASTM        KDGHDH
_cod_data_source_file            Achiwa_KDGHDH_1988_1338.cif
_cod_data_source_block           Ba2.8Cu3.5La1O9
_cod_original_cell_volume        179.5341
_cod_original_formula_sum        'Ba2.8 Cu3.5 La1 O9'
_cod_database_code               1539441
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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 0.153 1.8 0.0
Ba1 Ba+2 0.5 0.5 0.184 1.4 0.0
Cu1 Cu+2 0 0 0 0.9 0.0
Cu2 Cu+2 0 0 0.344 1.3 0.0
La1 La+3 0.5 0.5 0.5 1 0.0
O1 O-2 0 0.5 0 0.7 0.0
O3 O-2 0 0.5 0.369 1 0.0
