#------------------------------------------------------------------------------
#$Date: 2016-01-03 10:41:12 +0100 (Sun, 03 Jan 2016) $
#$Revision: 172543 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/12/1541254.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_1541254
loop_
_publ_author_name
'Morosin, B.'
'Ginley, D.S.'
'Venturini, E.L.'
'Baughman, R.J.'
'Tigges, C.P.'
_publ_section_title
;
 Structure studies on Tl-2122 and Tl-2223 superconductors
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              413
_journal_page_last               422
_journal_volume                  172
_journal_year                    1991
_chemical_formula_sum            'Ba2 Ca0.72 Cu2 O8 Tl2.16'
_chemical_name_systematic        'Tl2.16 Ca.72 Ba2 Cu2 O8'
_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                   3.8618
_cell_length_b                   3.8618
_cell_length_c                   29.217
_cell_volume                     435.728
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Morosin_PHYCE6_1991_1499.cif
_cod_data_source_block           Ba2Ca0.72Cu2O8Tl2.16
_cod_original_cell_volume        435.7277
_cod_database_code               1541254
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
Cu1 Cu+2 0 0 0.05421 1 0.0
O2 O-2 0 0 0.1451 1 0.0
Ba1 Ba+2 0.5 0.5 0.12202 1 0.0
Ca1 Ca+2 0.5 0.5 0 0.72 0.0
O1 O-2 0.5 0 0.0524 1 0.0
O3 O-2 0.098 0 0.2818 0.25 0.0
Tl2 Tl+3 0 0 0.21363 0.94 0.0
Tl1 Tl+3 0.5 0.5 0 0.28 0.0
