#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/44/1534454.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_1534454
loop_
_publ_author_name
'Adam, A.'
'Felser-Wenz, C.'
'Schuster, H.U.'
'Hoppe, R.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Tl Cu (Cu O2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              157
_journal_page_last               162
_journal_volume                  605
_journal_year                    1991
_chemical_formula_sum            'Cu2 O2 Tl'
_chemical_name_systematic        'Tl Cu (Cu O2)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.525
_cell_length_b                   6.052
_cell_length_c                   8.964
_cell_volume                     299.732
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Adam_ZAACAB_1991_24.cif
_cod_data_source_block           Cu2O2Tl1
_cod_original_formula_sum        'Cu2 O2 Tl1'
_cod_database_code               1534454
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z
-x,y+1/2,-z
-x,-y,-z
x,y-1/2,-z
-x,y,z
x,-y-1/2,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y,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+1 0 0.25 0.109 1 0.0
Cu1 Cu+1 0 0 0.5 1 0.0
O1 O-2 0 0.536 0.298 1 0.0
Cu2 Cu+2 0.25 0.25 0.75 1 0.0
