The compound described by Yb2GeSe4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), and four equivalent Se(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), and four equivalent Se(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1), one Se(2), and two equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the third Se site, Se(3) is bonded to two equivalent Yb(1), two equivalent Yb(2), and one Ge(1) atom to form a mixture of face, corner, and edge-sharing SeYb4Ge square pyramids. is represented by the CIF card [CIF]
data_Yb2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   7.053
_cell_length_c   8.028
_cell_angle_alpha   90.000
_cell_angle_beta   107.584
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.893
_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
  Yb  Yb0  1  0.274  0.750  0.945  1.0
  Yb  Yb1  1  0.726  0.250  0.055  1.0
  Yb  Yb2  1  0.266  0.750  0.439  1.0
  Yb  Yb3  1  0.734  0.250  0.561  1.0
  Ge  Ge4  1  0.738  0.750  0.805  1.0
  Ge  Ge5  1  0.262  0.250  0.195  1.0
  Se  Se6  1  0.931  0.750  0.103  1.0
  Se  Se7  1  0.069  0.250  0.897  1.0
  Se  Se8  1  0.937  0.750  0.612  1.0
  Se  Se9  1  0.063  0.250  0.388  1.0
  Se  Se10  1  0.496  0.496  0.744  1.0
  Se  Se11  1  0.504  0.996  0.256  1.0
  Se  Se12  1  0.504  0.504  0.256  1.0
  Se  Se13  1  0.496  0.004  0.744  1.0
[/CIF]
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The compound described by Yb2GeSe4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), and four equivalent Se(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), and four equivalent Se(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1), one Se(2), and two equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the third Se site, Se(3) is bonded to two equivalent Yb(1), two equivalent Yb(2), and one Ge(1) atom to form a mixture of face, corner, and edge-sharing SeYb4Ge square pyramids. is represented by the CIF card [CIF]
data_Yb2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   7.053
_cell_length_c   8.028
_cell_angle_alpha   90.000
_cell_angle_beta   107.584
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.893
_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
  Yb  Yb0  1  0.274  0.750  0.945  1.0
  Yb  Yb1  1  0.726  0.250  0.055  1.0
  Yb  Yb2  1  0.266  0.750  0.439  1.0
  Yb  Yb3  1  0.734  0.250  0.561  1.0
  Ge  Ge4  1  0.738  0.750  0.805  1.0
  Ge  Ge5  1  0.262  0.250  0.195  1.0
  Se  Se6  1  0.931  0.750  0.103  1.0
  Se  Se7  1  0.069  0.250  0.897  1.0
  Se  Se8  1  0.937  0.750  0.612  1.0
  Se  Se9  1  0.063  0.250  0.388  1.0
  Se  Se10  1  0.496  0.496  0.744  1.0
  Se  Se11  1  0.504  0.996  0.256  1.0
  Se  Se12  1  0.504  0.504  0.256  1.0
  Se  Se13  1  0.496  0.004  0.744  1.0
[/CIF]
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