data_global
_chemical_name_mineral 'Rajite'
loop_
_publ_author_name
'Hanke K'
'Kupcik V'
'Lindqvist O'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 29 
_journal_year 1973
_journal_page_first 963
_journal_page_last 970
_publ_section_title
;
 The crystal structure of CuTe2O5
;
_database_code_amcsd 0009478
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu Te2 O5'
_cell_length_a 6.871
_cell_length_b 9.322
_cell_length_c 7.602
_cell_angle_alpha 90
_cell_angle_beta 109.08
_cell_angle_gamma 90
_cell_volume 460.169
_exptl_crystal_density_diffrn      5.756
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.34117   0.48715   0.29408
Te1   0.13182   0.19969   0.08684
Te2   0.65120   0.32349   0.05685
O1   0.50150   0.10560   0.32320
O2   0.89560   0.18180   0.46490
O3   0.31850   0.34830   0.09310
O4   0.13270   0.37220   0.35600
O5   0.61500   0.37260   0.50670
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
Cu 0.01060 0.00630 0.00880 -0.00160 0.00520 -0.00090
Te1 0.00799 0.00737 0.00833 -0.00093 0.00415 -0.00073
Te2 0.00892 0.00670 0.00663 0.00025 0.00256 -0.00005
O1 0.00990 0.01060 0.01060 0.00100 0.00250 -0.00330
O2 0.00850 0.01550 0.01110 -0.00250 0.00530 -0.00260
O3 0.01130 0.01080 0.01110 -0.00440 0.00600 -0.00340
O4 0.01460 0.01270 0.01160 -0.00300 0.00680 0.00370
O5 0.01910 0.00620 0.01120 0.00140 0.00570 -0.00170