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#$Date: 2016-01-03 11:40:51 +0200 (Sun, 03 Jan 2016) $
#$Revision: 172541 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/12/1541252.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_1541252
loop_
_publ_author_name
'Morosin, B.'
'Ginley, D.S.'
'Schirber, J.E.'
'Venturini, E.L.'
_publ_section_title
;
 Crystal structure of Tl Ca2 Ba2 Cu3 O9
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              587
_journal_page_last               591
_journal_volume                  156
_journal_year                    1988
_chemical_formula_sum            'Ba2 Ca1.93 Cu2.862 O9 Tl1.07'
_chemical_name_systematic        'Tl1.07 Ca1.93 Ba2 Cu2.862 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                   3.8532
_cell_length_b                   3.8532
_cell_length_c                   15.9223
_cell_volume                     236.401
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Morosin_PHYCE6_1988_176.cif
_cod_data_source_block           Ba2Ca1.93Cu2.862O9Tl1.07
_cod_original_cell_volume        236.4008
_cod_database_code               1541252
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
Tl2 Tl+3 0.5 0.5 0.3963 0.035 0.0
Ca1 Ca+2 0.5 0.5 0.3963 0.965 0.0
Tl1 Tl+3 0 0 0 1 0.0
O3 O-2 0 0 0.125 1 0.0
Cu2 Cu+2 0 0 0.2985 0.966 0.0
O2 O-2 0.5 0 0.304 1 0.0
O1 O-2 0.5 0 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.172 1 0.0
O4 O-2 0.5 0.5 0 1 0.0
Cu1 Cu+3 0 0 0.5 0.93 0.0
