The material structure described by NaYb3GeS7 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded to six equivalent S(2) atoms to form face-sharing NaS6 octahedra. Yb(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(3), and four equivalent S(2) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to three equivalent Yb(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Na(1) and four equivalent Yb(1) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to three equivalent Yb(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYb3GeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.897
_cell_length_b   9.897
_cell_length_c   6.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   510.954
_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
  Na  Na0  1  0.000  0.000  0.471  1.0
  Na  Na1  1  0.000  0.000  0.971  1.0
  Yb  Yb2  1  0.775  0.144  0.759  1.0
  Yb  Yb3  1  0.369  0.225  0.759  1.0
  Yb  Yb4  1  0.856  0.631  0.759  1.0
  Yb  Yb5  1  0.225  0.856  0.259  1.0
  Yb  Yb6  1  0.631  0.775  0.259  1.0
  Yb  Yb7  1  0.144  0.369  0.259  1.0
  Ge  Ge8  1  0.667  0.333  0.313  1.0
  Ge  Ge9  1  0.333  0.667  0.813  1.0
  S  S10  1  0.667  0.333  0.947  1.0
  S  S11  1  0.333  0.667  0.447  1.0
  S  S12  1  0.734  0.837  0.724  1.0
  S  S13  1  0.103  0.266  0.724  1.0
  S  S14  1  0.163  0.897  0.724  1.0
  S  S15  1  0.266  0.163  0.224  1.0
  S  S16  1  0.897  0.734  0.224  1.0
  S  S17  1  0.837  0.103  0.224  1.0
  S  S18  1  0.569  0.472  0.462  1.0
  S  S19  1  0.903  0.431  0.462  1.0
  S  S20  1  0.528  0.097  0.462  1.0
  S  S21  1  0.431  0.528  0.962  1.0
  S  S22  1  0.097  0.569  0.962  1.0
  S  S23  1  0.472  0.903  0.962  1.0
[/CIF]
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The material structure described by NaYb3GeS7 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded to six equivalent S(2) atoms to form face-sharing NaS6 octahedra. Yb(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(3), and four equivalent S(2) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to three equivalent Yb(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Na(1) and four equivalent Yb(1) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to three equivalent Yb(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYb3GeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.897
_cell_length_b   9.897
_cell_length_c   6.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   510.954
_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
  Na  Na0  1  0.000  0.000  0.471  1.0
  Na  Na1  1  0.000  0.000  0.971  1.0
  Yb  Yb2  1  0.775  0.144  0.759  1.0
  Yb  Yb3  1  0.369  0.225  0.759  1.0
  Yb  Yb4  1  0.856  0.631  0.759  1.0
  Yb  Yb5  1  0.225  0.856  0.259  1.0
  Yb  Yb6  1  0.631  0.775  0.259  1.0
  Yb  Yb7  1  0.144  0.369  0.259  1.0
  Ge  Ge8  1  0.667  0.333  0.313  1.0
  Ge  Ge9  1  0.333  0.667  0.813  1.0
  S  S10  1  0.667  0.333  0.947  1.0
  S  S11  1  0.333  0.667  0.447  1.0
  S  S12  1  0.734  0.837  0.724  1.0
  S  S13  1  0.103  0.266  0.724  1.0
  S  S14  1  0.163  0.897  0.724  1.0
  S  S15  1  0.266  0.163  0.224  1.0
  S  S16  1  0.897  0.734  0.224  1.0
  S  S17  1  0.837  0.103  0.224  1.0
  S  S18  1  0.569  0.472  0.462  1.0
  S  S19  1  0.903  0.431  0.462  1.0
  S  S20  1  0.528  0.097  0.462  1.0
  S  S21  1  0.431  0.528  0.962  1.0
  S  S22  1  0.097  0.569  0.962  1.0
  S  S23  1  0.472  0.903  0.962  1.0
[/CIF]
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