data_global
_amcsd_formula_title 'Tl2CO3'
loop_
_publ_author_name
'Grzechnik A'
'Friese K'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 64 
_journal_year 2008
_journal_page_first i69
_journal_page_last i70
_publ_section_title
;
 Tl2CO3 at 3.56 GPa
 P = 3.56 GPa, T = 300 K
;
_database_code_amcsd 0010343
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Tl2 C O3'
_cell_length_a 12.006
_cell_length_b 5.2173
_cell_length_c 7.2920
_cell_angle_alpha 90
_cell_angle_beta 123.01
_cell_angle_gamma 90
_cell_volume 383.030
_exptl_crystal_density_diffrn      8.129
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl1   0.07300   0.00000   0.30940
Tl2   0.13870   0.50000   0.74980
C1   0.14800   0.50000   0.18800
O1   0.17700   0.50000   0.37900
O2   0.15800   0.29300   0.10300
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Tl1 0.05900 0.03570 0.03900 0.00000 0.03200 0.00000
Tl2 0.09200 0.04380 0.05000 0.00000 0.05100 0.00000