The compound described by Yb2GeS4 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 S(1), one S(2), and four equivalent S(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), and four equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the third S site, S(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 SYb4Ge square pyramids. is represented by the CIF file [CIF]
data_Yb2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   6.493
_cell_length_c   7.678
_cell_angle_alpha   72.421
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.580
_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  0.250  0.720  0.947  1.0
  Yb  Yb1  1  0.750  0.280  0.053  1.0
  Yb  Yb2  1  0.250  0.742  0.438  1.0
  Yb  Yb3  1  0.750  0.258  0.562  1.0
  Ge  Ge4  1  0.250  0.260  0.805  1.0
  Ge  Ge5  1  0.750  0.740  0.195  1.0
  S  S6  1  0.250  0.070  0.097  1.0
  S  S7  1  0.750  0.930  0.903  1.0
  S  S8  1  0.250  0.063  0.617  1.0
  S  S9  1  0.750  0.937  0.383  1.0
  S  S10  1  0.502  0.498  0.744  1.0
  S  S11  1  0.002  0.502  0.256  1.0
  S  S12  1  0.498  0.502  0.256  1.0
  S  S13  1  0.998  0.498  0.744  1.0
[/CIF]
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The compound described by Yb2GeS4 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 S(1), one S(2), and four equivalent S(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), and four equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Ge(1) atom. In the third S site, S(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 SYb4Ge square pyramids. is represented by the CIF file [CIF]
data_Yb2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   6.493
_cell_length_c   7.678
_cell_angle_alpha   72.421
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.580
_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  0.250  0.720  0.947  1.0
  Yb  Yb1  1  0.750  0.280  0.053  1.0
  Yb  Yb2  1  0.250  0.742  0.438  1.0
  Yb  Yb3  1  0.750  0.258  0.562  1.0
  Ge  Ge4  1  0.250  0.260  0.805  1.0
  Ge  Ge5  1  0.750  0.740  0.195  1.0
  S  S6  1  0.250  0.070  0.097  1.0
  S  S7  1  0.750  0.930  0.903  1.0
  S  S8  1  0.250  0.063  0.617  1.0
  S  S9  1  0.750  0.937  0.383  1.0
  S  S10  1  0.502  0.498  0.744  1.0
  S  S11  1  0.002  0.502  0.256  1.0
  S  S12  1  0.498  0.502  0.256  1.0
  S  S13  1  0.998  0.498  0.744  1.0
[/CIF]
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