#------------------------------------------------------------------------------
#$Date: 2015-07-10 15:19:54 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142305 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/20/1522086.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_1522086
loop_
_publ_author_name
'Valldor, M.'
'Bryntse, I.'
'Morawski, A.'
_publ_section_title
;
 Synthesis and X-ray single-crystal analysis of a 2212-type superconductor
 in the Tl - Hg - Sr - Ca - Cu - O system
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              27
_journal_page_last               35
_journal_volume                  314
_journal_year                    1999
_chemical_formula_sum            'Ca1.04 Cu2.5 Hg0.7 O7.5 Sr1.96 Tl0.8'
_chemical_name_systematic
;
(Tl0.8 Hg0.7 Cu0.5) (Sr1.70 Ca0.30) (Ca0.74 Sr0.26) Cu2 O7.5
;
_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                   3.796
_cell_length_b                   3.796
_cell_length_c                   28.433
_cell_volume                     409.709
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Valldor_PHYCE6_1999_618.cif
_cod_data_source_block           Ca1.04Cu2.5Hg0.7O7.5Sr1.96Tl0.8
_cod_original_cell_volume        409.7086
_cod_database_code               1522086
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
Tl1 Tl+3 0.5 0.5 0.21226 0.4 0.0
Cu1 Cu+2 0.5 0.5 0.21226 0.25 0.0
Cu2 Cu+2 0.5 0.5 0.05794 1 0.0
Ca2 Ca+2 0 0 0 0.74 0.0
O1 O-2 0 0.5 0.0558 1 0.0
Hg1 Hg+2 0.5 0.5 0.21226 0.35 0.0
Sr2 Sr+2 0 0 0 0.26 0.0
O2 O-2 0.5 0.5 0.1404 1 0.0
Ca1 Ca+2 0 0 0.12126 0.15 0.0
Sr1 Sr+2 0 0 0.12126 0.85 0.0
O3 O-2 0 0 0.2148 0.75 0.0
