data_global
_chemical_name_mineral 'Kalgoorlieite'
loop_
_publ_author_name
'Stergiou A C'
'Rentzeperis P J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 172 
_journal_year 1985
_journal_page_first 139
_journal_page_last 145
_publ_section_title
;
 Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3
;
_database_code_amcsd 0020523
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'As2 Te3'
_cell_length_a 14.3573
_cell_length_b 4.0199
_cell_length_c 9.8990
_cell_angle_alpha 90
_cell_angle_beta 95.107
_cell_angle_gamma 90
_cell_volume 569.052
_exptl_crystal_density_diffrn      6.217
_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
_atom_site_U_iso_or_equiv
As1   0.20260   0.00000   0.14080   0.01545
As2   0.11330   0.50000   0.44060   0.01836
Te1   0.02890   0.00000   0.28680   0.01330
Te2   0.27770   0.50000   0.33900   0.01216
Te3   0.37440   0.00000   0.03550   0.01241
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 0.02180 0.01250 0.01190 0.00000 0.00430 0.00000
As2 0.02110 0.01820 0.01590 0.00000 0.00420 0.00000
Te1 0.01460 0.01130 0.01400 0.00000 0.00280 0.00000
Te2 0.01550 0.00960 0.01170 0.00000 -0.00110 0.00000
Te3 0.01600 0.01120 0.01010 0.00000 -0.00050 0.00000