data_global
_amcsd_formula_title 'Yb2Se3'
loop_
_publ_author_name
'Assoud A'
'Kleinke H'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i103
_journal_page_last i104
_publ_section_title
;
 Ytterbium sesquiselenide Yb2Se3
;
_database_code_amcsd 0010411
_chemical_formula_sum 'Yb2 Se3'
_cell_length_a 8.0183
_cell_length_b 11.2720
_cell_length_c 23.961
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2165.650
_exptl_crystal_density_diffrn      7.152
_symmetry_space_group_name_H-M 'F d d d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+x,-y,3/4+z'
  '3/4+x,1/2-y,1/4+z'
  '1/4+x,-y,1/4+z'
  '1/4+x,1/2-y,3/4+z'
  '3/4-x,y,3/4-z'
  '3/4-x,1/2+y,1/4-z'
  '1/4-x,y,1/4-z'
  '1/4-x,1/2+y,3/4-z'
  '-x,3/4+y,3/4+z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '3/4+x,3/4+y,-z'
  '3/4+x,1/4+y,1/2-z'
  '1/4+x,3/4+y,1/2-z'
  '1/4+x,1/4+y,-z'
  '3/4-x,3/4-y,z'
  '3/4-x,1/4-y,1/2+z'
  '1/4-x,3/4-y,1/2+z'
  '1/4-x,1/4-y,z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-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
Yb1   0.12500   0.12500   0.04138   0.00754
Yb2   0.12500   0.12500   0.37746   0.00745
Se1   0.37062   0.12500   0.12500   0.00751
Se2   0.38115   0.12282   0.45668   0.00758
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
Yb1 0.00865 0.00734 0.00664 -0.00092 0.00000 0.00000
Yb2 0.00657 0.00766 0.00813 0.00168 0.00000 0.00000
Se1 0.00780 0.00580 0.00900 0.00000 0.00000 0.00010
Se2 0.00680 0.00850 0.00740 -0.00290 -0.00142 0.00012