data_global
_chemical_name_mineral 'Kalgoorlieite'
loop_
_publ_author_name
'Kanischeva A S'
'Mikhailov Y N'
'Chernov A P'
_journal_name_full 'Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy'
_journal_volume 18 
_journal_year 1982
_journal_page_first 949
_journal_page_last 952
_publ_section_title
;
 Crystal structure of arsenic telluride As2Te3
;
_database_code_amcsd 0020522
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'As2 Te3'
_cell_length_a 14.364
_cell_length_b 4.025
_cell_length_c 9.889
_cell_angle_alpha 90
_cell_angle_beta 95.14
_cell_angle_gamma 90
_cell_volume 569.435
_exptl_crystal_density_diffrn      6.213
_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
As1   0.11211   0.50000   0.44169
As2   0.20338   0.00000   0.14129
Te1   0.02929   0.00000   0.28714
Te2   0.27848   0.50000   0.33979
Te3   0.37395   0.00000   0.03530
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
As1 0.03007 0.01321 0.02457 0.00000 0.01214 0.00000
As2 0.02385 0.01092 0.02261 0.00000 0.00286 0.00000
Te1 0.01866 0.00771 0.02556 0.00000 0.00286 0.00000
Te2 0.02177 0.00468 0.01818 0.00000 0.00143 0.00000
Te3 0.01452 0.00632 0.02064 0.00000 0.00071 0.00000