The material structure described by Nd10(GeSi)3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to three equivalent Ge(1) and three equivalent Si(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to three equivalent Ge(1) and two equivalent Si(1) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to two equivalent Ge(1) and three equivalent Si(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nd(3), three equivalent Nd(2), and four equivalent Nd(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), three equivalent Nd(3), and four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd10(SiGe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.839
_cell_length_b   8.839
_cell_length_c   6.683
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   452.189
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.667  0.333  0.753  1.0
  Nd  Nd1  1  0.333  0.667  0.753  1.0
  Nd  Nd2  1  0.333  0.667  0.247  1.0
  Nd  Nd3  1  0.667  0.333  0.247  1.0
  Nd  Nd4  1  0.755  0.755  0.500  1.0
  Nd  Nd5  1  0.245  0.000  0.500  1.0
  Nd  Nd6  1  0.000  0.245  0.500  1.0
  Nd  Nd7  1  0.245  0.245  0.000  1.0
  Nd  Nd8  1  0.755  0.000  0.000  1.0
  Nd  Nd9  1  0.000  0.755  0.000  1.0
  Si  Si10  1  0.606  0.606  0.000  1.0
  Si  Si11  1  0.394  0.000  0.000  1.0
  Si  Si12  1  0.000  0.394  0.000  1.0
  Ge  Ge13  1  0.394  0.394  0.500  1.0
  Ge  Ge14  1  0.606  0.000  0.500  1.0
  Ge  Ge15  1  0.000  0.606  0.500  1.0
[/CIF]
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The material structure described by Nd10(GeSi)3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to three equivalent Ge(1) and three equivalent Si(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to three equivalent Ge(1) and two equivalent Si(1) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to two equivalent Ge(1) and three equivalent Si(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nd(3), three equivalent Nd(2), and four equivalent Nd(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), three equivalent Nd(3), and four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd10(SiGe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.839
_cell_length_b   8.839
_cell_length_c   6.683
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   452.189
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.667  0.333  0.753  1.0
  Nd  Nd1  1  0.333  0.667  0.753  1.0
  Nd  Nd2  1  0.333  0.667  0.247  1.0
  Nd  Nd3  1  0.667  0.333  0.247  1.0
  Nd  Nd4  1  0.755  0.755  0.500  1.0
  Nd  Nd5  1  0.245  0.000  0.500  1.0
  Nd  Nd6  1  0.000  0.245  0.500  1.0
  Nd  Nd7  1  0.245  0.245  0.000  1.0
  Nd  Nd8  1  0.755  0.000  0.000  1.0
  Nd  Nd9  1  0.000  0.755  0.000  1.0
  Si  Si10  1  0.606  0.606  0.000  1.0
  Si  Si11  1  0.394  0.000  0.000  1.0
  Si  Si12  1  0.000  0.394  0.000  1.0
  Ge  Ge13  1  0.394  0.394  0.500  1.0
  Ge  Ge14  1  0.606  0.000  0.500  1.0
  Ge  Ge15  1  0.000  0.606  0.500  1.0
[/CIF]
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