The material described by Cs2Au2Se3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent Au(1), two equivalent Se(2), and three equivalent Se(1) atoms. Au(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Se(1), and one Se(2) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Au(1), and one Se(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Cs2Au2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.405
_cell_length_b   8.374
_cell_length_c   8.374
_cell_angle_alpha   108.060
_cell_angle_beta   90.705
_cell_angle_gamma   90.705
_symmetry_Int_Tables_number   1
_cell_volume   493.591
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cs  Cs0  1  0.365  0.868  0.657  1.0
  Cs  Cs1  1  0.865  0.657  0.868  1.0
  Cs  Cs2  1  0.635  0.132  0.343  1.0
  Cs  Cs3  1  0.135  0.343  0.132  1.0
  Au  Au4  1  0.459  0.355  0.777  1.0
  Au  Au5  1  0.959  0.777  0.355  1.0
  Au  Au6  1  0.541  0.645  0.223  1.0
  Au  Au7  1  0.041  0.223  0.645  1.0
  Se  Se8  1  0.174  0.952  0.266  1.0
  Se  Se9  1  0.750  0.582  0.418  1.0
  Se  Se10  1  0.250  0.418  0.582  1.0
  Se  Se11  1  0.674  0.266  0.952  1.0
  Se  Se12  1  0.326  0.734  0.048  1.0
  Se  Se13  1  0.826  0.048  0.734  1.0
[/CIF]
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The material described by Cs2Au2Se3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent Au(1), two equivalent Se(2), and three equivalent Se(1) atoms. Au(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Se(1), and one Se(2) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Au(1), and one Se(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Cs2Au2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.405
_cell_length_b   8.374
_cell_length_c   8.374
_cell_angle_alpha   108.060
_cell_angle_beta   90.705
_cell_angle_gamma   90.705
_symmetry_Int_Tables_number   1
_cell_volume   493.591
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cs  Cs0  1  0.365  0.868  0.657  1.0
  Cs  Cs1  1  0.865  0.657  0.868  1.0
  Cs  Cs2  1  0.635  0.132  0.343  1.0
  Cs  Cs3  1  0.135  0.343  0.132  1.0
  Au  Au4  1  0.459  0.355  0.777  1.0
  Au  Au5  1  0.959  0.777  0.355  1.0
  Au  Au6  1  0.541  0.645  0.223  1.0
  Au  Au7  1  0.041  0.223  0.645  1.0
  Se  Se8  1  0.174  0.952  0.266  1.0
  Se  Se9  1  0.750  0.582  0.418  1.0
  Se  Se10  1  0.250  0.418  0.582  1.0
  Se  Se11  1  0.674  0.266  0.952  1.0
  Se  Se12  1  0.326  0.734  0.048  1.0
  Se  Se13  1  0.826  0.048  0.734  1.0
[/CIF]
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