The compound described by Nd2AlGe6 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 12-coordinate geometry to two equivalent Al(1), one Ge(4), one Ge(5), two equivalent Ge(3), three equivalent Ge(1), and three equivalent Ge(2) atoms. Al(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Ge(1), one Ge(4), one Ge(5), and two equivalent Ge(3) atoms. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1), one Al(1), one Ge(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to six equivalent Nd(1), one Ge(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one Al(1), one Ge(3), one Ge(4), and one Ge(5) atom. In the fourth Ge site, Ge(4) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one Al(1), one Ge(4), and two equivalent Ge(3) atoms. In the fifth Ge site, Ge(5) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one Al(1), one Ge(5), and two equivalent Ge(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2AlGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.077
_cell_length_b   6.077
_cell_length_c   10.714
_cell_angle_alpha   82.038
_cell_angle_beta   82.038
_cell_angle_gamma   92.437
_symmetry_Int_Tables_number   1
_cell_volume   387.362
_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
  Nd  Nd0  1  0.838  0.334  0.662  1.0
  Nd  Nd1  1  0.334  0.838  0.662  1.0
  Nd  Nd2  1  0.162  0.666  0.338  1.0
  Nd  Nd3  1  0.666  0.162  0.338  1.0
  Al  Al4  1  0.800  0.800  0.805  1.0
  Al  Al5  1  0.200  0.200  0.195  1.0
  Ge  Ge6  1  0.147  0.147  0.437  1.0
  Ge  Ge7  1  0.853  0.853  0.563  1.0
  Ge  Ge8  1  0.361  0.361  0.582  1.0
  Ge  Ge9  1  0.639  0.639  0.418  1.0
  Ge  Ge10  1  0.066  0.493  0.885  1.0
  Ge  Ge11  1  0.493  0.066  0.885  1.0
  Ge  Ge12  1  0.934  0.507  0.115  1.0
  Ge  Ge13  1  0.507  0.934  0.115  1.0
  Ge  Ge14  1  0.069  0.069  0.885  1.0
  Ge  Ge15  1  0.931  0.931  0.115  1.0
  Ge  Ge16  1  0.489  0.489  0.885  1.0
  Ge  Ge17  1  0.511  0.511  0.115  1.0
[/CIF]
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The compound described by Nd2AlGe6 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 12-coordinate geometry to two equivalent Al(1), one Ge(4), one Ge(5), two equivalent Ge(3), three equivalent Ge(1), and three equivalent Ge(2) atoms. Al(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Ge(1), one Ge(4), one Ge(5), and two equivalent Ge(3) atoms. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1), one Al(1), one Ge(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to six equivalent Nd(1), one Ge(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one Al(1), one Ge(3), one Ge(4), and one Ge(5) atom. In the fourth Ge site, Ge(4) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one Al(1), one Ge(4), and two equivalent Ge(3) atoms. In the fifth Ge site, Ge(5) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one Al(1), one Ge(5), and two equivalent Ge(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2AlGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.077
_cell_length_b   6.077
_cell_length_c   10.714
_cell_angle_alpha   82.038
_cell_angle_beta   82.038
_cell_angle_gamma   92.437
_symmetry_Int_Tables_number   1
_cell_volume   387.362
_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
  Nd  Nd0  1  0.838  0.334  0.662  1.0
  Nd  Nd1  1  0.334  0.838  0.662  1.0
  Nd  Nd2  1  0.162  0.666  0.338  1.0
  Nd  Nd3  1  0.666  0.162  0.338  1.0
  Al  Al4  1  0.800  0.800  0.805  1.0
  Al  Al5  1  0.200  0.200  0.195  1.0
  Ge  Ge6  1  0.147  0.147  0.437  1.0
  Ge  Ge7  1  0.853  0.853  0.563  1.0
  Ge  Ge8  1  0.361  0.361  0.582  1.0
  Ge  Ge9  1  0.639  0.639  0.418  1.0
  Ge  Ge10  1  0.066  0.493  0.885  1.0
  Ge  Ge11  1  0.493  0.066  0.885  1.0
  Ge  Ge12  1  0.934  0.507  0.115  1.0
  Ge  Ge13  1  0.507  0.934  0.115  1.0
  Ge  Ge14  1  0.069  0.069  0.885  1.0
  Ge  Ge15  1  0.931  0.931  0.115  1.0
  Ge  Ge16  1  0.489  0.489  0.885  1.0
  Ge  Ge17  1  0.511  0.511  0.115  1.0
[/CIF]
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