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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/07/1520796.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_1520796
loop_
_publ_author_name
'Awana, V.P.S.'
'de Lima, O.F.'
'Malik, S.K.'
'Yelon, W.B.'
'Narlikar, A.V.'
_publ_section_title
;
 Structural and superconducting properties of La Ba Ca Cu3 O7+d system: a
 neutron diffraction study
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              93
_journal_page_last               97
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'Ba Ca Cu3 La O7.06'
_chemical_name_systematic
'(La0.54 Ca0.46) (La0.23 Ca0.27 Ba0.5)2 Cu3 O7.06'
_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                   3.8692
_cell_length_b                   3.8692
_cell_length_c                   11.6525
_cell_volume                     174.446
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Awana_PHYCE6_1999_619.cif
_cod_data_source_block           Ba1Ca1Cu3La1O7.06
_cod_original_cell_volume        174.4462
_cod_original_formula_sum        'Ba1 Ca1 Cu3 La1 O7.06'
_cod_database_code               1520796
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
O3 O-2 0 0 0.1579 0.83 0.0
Ca1 Ca+2 0.5 0.5 0.1849 0.27 0.0
Ba1 Ba+2 0.5 0.5 0.1849 0.5 0.0
O2 O-2 0.5 0 0.3664 0.99 0.0
Cu2 Cu+2 0 0 0.3527 1 0.0
La2 La+3 0.5 0.5 0.5 0.54 0.0
La1 La+3 0.5 0.5 0.1849 0.23 0.0
O1 O-2 0.5 0 0 0.72 0.0
Cu1 Cu+2 0 0 0 1 0.0
Ca2 Ca+2 0.5 0.5 0.5 0.46 0.0
