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#$Date: 2016-01-28 09:43:48 +0200 (Thu, 28 Jan 2016) $
#$Revision: 175222 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532574.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_1532574
loop_
_publ_author_name
'Idemoto, Y.'
'Yamawaki, K.'
'Oikawa, K.'
'Koura, N.'
'Kamiyama, T.'
'Izumi, F.'
_publ_section_title
;
 Cation composition and oxygen content dependence of crystal structure and
 Tc for Tl₂₋ₓBa₂Ca₂Cu3+zOy
;
_journal_issue                   1297
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              651
_journal_page_last               657
_journal_paper_doi               10.2109/jcersj.111.651
_journal_volume                  111
_journal_year                    2003
_chemical_formula_sum            'Ba2 Ca2 Cu3.134 O9.808 Tl1.778'
_chemical_name_systematic        '(Tl0.889 Cu0.067)2 Ba2 Ca2 Cu3 O9.808'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8515
_cell_length_b                   3.8515
_cell_length_c                   35.6695
_cell_volume                     529.123
_citation_journal_id_ASTM        JCSJEW
_cod_data_source_file            Idemoto_JCSJEW_2003_1560.cif
_cod_data_source_block           Ba2Ca2Cu3.134O9.808Tl1.778
_cod_original_cell_volume        529.1232
_cod_database_code               1532574
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
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
Cu1 Cu+2 0.5 0.5 0.22 0.067 0.0
O2 O-2 0.5 0 0.08773 1 0.0
Cu3 Cu+2 0.5 0.5 0.08942 1 0.0
O3 O-2 0.5 0.5 0.16409 1 0.0
Ba1 Ba+2 0 0 0.14463 1 0.0
Ca1 Ca+2 0 0 0.04581 1 0.0
Cu2 Cu+2 0.5 0.5 0 1 0.0
O4 O-2 0.6055 0.5 0.27506 0.226 0.0
O1 O-2 0.5 0 0 1 0.0
Tl1 Tl+3 0.5 0.5 0.22 0.889 0.0
