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#$Date: 2016-01-28 06:36:14 +0200 (Thu, 28 Jan 2016) $
#$Revision: 175202 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531558.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_1531558
loop_
_publ_author_name
'Idemoto, Y.'
'Izumi, F.'
'Koura, N.'
'Nishikawa, J.'
'Kamiyama, T.'
_publ_section_title
;
 Dependence of Tc and the crystal structure of
 Tl₂₋ₓBa₂Ca~1.95~Y~0.05~Cu₃Oy superconducting oxide on the Tl content
;
_journal_issue                   1279
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              180
_journal_page_last               185
_journal_paper_doi               10.2109/jcersj.110.180
_journal_volume                  110
_journal_year                    2002
_chemical_formula_sum            'Ba2 Ca1.95 Cu3.25 O9.952 Tl1.66 Y0.05'
_chemical_name_systematic        'Tl1.66 Ba2 Ca1.95 Y0.05 Cu3.25 O9.952'
_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                   3.8523
_cell_length_b                   3.8523
_cell_length_c                   35.644
_cell_volume                     528.965
_citation_journal_id_ASTM        JCSJEW
_cod_data_source_file            Idemoto_JCSJEW_2002_1144.cif
_cod_data_source_block           Ba2Ca1.95Cu3.25O9.952Tl1.66Y0.05
_cod_original_cell_volume        528.9646
_cod_database_code               1531558
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
Cu3 Cu+2 0.5 0.5 0.0896 1 0.0
Ba1 Ba+2 0 0 0.1447 1 0.0
Y1 Y+3 0 0 0.0456 0.025 0.0
Tl1 Tl+3 0.5 0.5 0.22 0.83 0.0
O1 O-2 0.5 0 0 1 0.0
O2 O-2 0.5 0 0.0876 1 0.0
O3 O-2 0.5 0.5 0.1645 1 0.0
Cu2 Cu+2 0.5 0.5 0 1 0.0
Cu1 Cu+2 0.5 0.5 0.22 0.124 0.0
Ca1 Ca+2 0 0 0.0456 0.975 0.0
O4 O-2 0.6 0.5 0.2743 0.244 0.0
