#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/59/1535963.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_1535963
loop_
_publ_author_name
'Ehrhardt, H.'
'Lemor, R.'
'Seidel, H.'
_publ_section_title
;
 Carbonatdarstellungen durch Schmelzreaktionen unter hohen C O2 -Druecken
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              183
_journal_page_last               195
_journal_volume                  477
_journal_year                    1981
_chemical_formula_sum            'C2 Cu O6 Tl2'
_chemical_name_systematic        'Tl2 Cu (C O3)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.51
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.583
_cell_length_b                   9.799
_cell_length_c                   9.119
_cell_volume                     630.403
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ehrhardt_ZAACAB_1981_1393.cif
_cod_data_source_block           C2Cu1O6Tl2
_cod_original_cell_volume        630.4027
_cod_original_formula_sum        'C2 Cu1 O6 Tl2'
_cod_database_code               1535963
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
O4 O-2 0.4595 0.3159 0.6203 1 0.0
Cu1 Cu+2 0.4589 0.1107 0.9175 1 0.0
C2 C+4 0.4799 0.3859 0.7478 1 0.0
O1 O-2 0.1897 0.0698 0.86 1 0.0
O5 O-2 0.4376 0.3258 0.8556 1 0.0
C1 C+4 0.1406 0.9561 0.9048 1 0.0
O2 O-2 0.0338 0.4067 0.6554 1 0.0
O3 O-2 0.2628 0.8754 0.0117 1 0.0
Tl1 Tl+1 0.2613 0.6084 0.8503 1 0.0
Tl2 Tl+1 0.1167 0.2021 0.516 1 0.0
O6 O-2 0.4636 0.0109 0.7347 1 0.0
