#------------------------------------------------------------------------------
#$Date: 2015-09-17 22:48:56 +0200 (jue 17 de sep de 2015) $
#$Revision: 157005 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531518.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_1531518
loop_
_publ_author_name
'Hopfinger, T.'
'Gladyshevskii, R.E.'
'Galez, P.'
'Shcherban, O.O.'
'Lomello-Tafin, M.'
'Jorda, J.L.'
'Couach, M.'
_publ_section_title
;
 Intergrowth of structures in the Tl-Ba-Ca-Cu-O system
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              237
_journal_page_last               248
_journal_volume                  333
_journal_year                    2002
_chemical_formula_sum            'Ba2 Ca1.86 Cu3 O9 Tl1.12'
_chemical_name_systematic        'Tl0.98 Ba2 (Ca0.93 Tl0.07)2 Cu3 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                   3.8443
_cell_length_b                   3.8443
_cell_length_c                   15.863
_cell_volume                     234.434
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Hopfinger_JALCEU_2002_383.cif
_cod_data_source_block           Ba2Ca1.86Cu3O9Tl1.12
_cod_original_cell_volume        234.4336
_cod_database_code               1531518
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 0.5 0.308 1 0.0
O1 O-2 0.716 0.5 0 0.25 0.0
Ba1 Ba+2 0.5 0.5 0.1712 1 0.0
Tl1 Tl+3 0.108 0 0 0.245 0.0
Cu2 Cu+2 0 0 0.5 1 0.0
Ca1 Ca+2 0.5 0.5 0.397 0.93 0.0
Cu1 Cu+2 0 0 0.297 1 0.0
O4 O-2 0 0.5 0.5 1 0.0
Tl2 Tl+3 0.5 0.5 0.397 0.07 0.0
O2 O-2 0 0 0.133 1 0.0
