#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/19/1521937.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_1521937
loop_
_publ_author_name
'Skakle, J.M.S.'
'West, A.R.'
_publ_section_title
;
 Crystal structure - Tc correlations in La Ba1.5 Ca0.5 Cu3 Od
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              12
_journal_page_last               28
_journal_volume                  321
_journal_year                    1999
_chemical_formula_sum            'Ba1.5 Ca0.5 Cu3 La O6.5'
_chemical_name_systematic        '(La0.5 Ba1.5) (La0.5 Ca0.5) Cu3 O6.5'
_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                   3.88743
_cell_length_b                   3.88743
_cell_length_c                   11.7895
_cell_volume                     178.164
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Skakle_PHYCE6_1999_638.cif
_cod_data_source_block           Ba1.5Ca0.5Cu3La1O6.5
_cod_original_cell_volume        178.1642
_cod_original_formula_sum        'Ba1.5 Ca0.5 Cu3 La1 O6.5'
_cod_database_code               1521937
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
Ca1 Ca+2 0.5 0.5 0.5 0.5 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0 0 0.15 1 0.0
Ba1 Ba+2 0.5 0.5 0.1925 0.75 0.0
O2 O-2 0.5 0 0.3659 1 0.0
La1 La+3 0.5 0.5 0.5 0.5 0.0
La2 La+3 0.5 0.5 0.1925 0.25 0.0
O1 O-2 0.5 0 0 0.25 0.0
Cu2 Cu+2 0 0 0.36395 1 0.0
