The structure described by NdGaSb2 crystallizes in the tetragonal I-42d space group. Nd(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. Ga(1) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Ga(1), and two equivalent Sb(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Nd(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SbNd4Ga2 pentagonal pyramids. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_NdGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.870
_cell_length_b   22.870
_cell_length_c   22.870
_cell_angle_alpha   169.000
_cell_angle_beta   169.000
_cell_angle_gamma   15.580
_symmetry_Int_Tables_number   1
_cell_volume   435.475
_cell_formula_units_Z   4
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  0.556  0.056  0.500  1.0
  Nd  Nd1  1  0.806  0.806  0.000  1.0
  Nd  Nd2  1  0.194  0.194  0.000  1.0
  Nd  Nd3  1  0.944  0.444  0.500  1.0
  Ga  Ga4  1  0.875  0.288  0.913  1.0
  Ga  Ga5  1  0.712  0.625  0.587  1.0
  Ga  Ga6  1  0.375  0.962  0.087  1.0
  Ga  Ga7  1  0.038  0.125  0.413  1.0
  Sb  Sb8  1  0.421  0.921  0.500  1.0
  Sb  Sb9  1  0.671  0.671  0.000  1.0
  Sb  Sb10  1  0.329  0.329  0.000  1.0
  Sb  Sb11  1  0.079  0.579  0.500  1.0
  Sb  Sb12  1  0.000  0.000  0.000  1.0
  Sb  Sb13  1  0.750  0.250  0.500  1.0
  Sb  Sb14  1  0.250  0.750  0.500  1.0
  Sb  Sb15  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by NdGaSb2 crystallizes in the tetragonal I-42d space group. Nd(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. Ga(1) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Ga(1), and two equivalent Sb(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Nd(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SbNd4Ga2 pentagonal pyramids. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_NdGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.870
_cell_length_b   22.870
_cell_length_c   22.870
_cell_angle_alpha   169.000
_cell_angle_beta   169.000
_cell_angle_gamma   15.580
_symmetry_Int_Tables_number   1
_cell_volume   435.475
_cell_formula_units_Z   4
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  0.556  0.056  0.500  1.0
  Nd  Nd1  1  0.806  0.806  0.000  1.0
  Nd  Nd2  1  0.194  0.194  0.000  1.0
  Nd  Nd3  1  0.944  0.444  0.500  1.0
  Ga  Ga4  1  0.875  0.288  0.913  1.0
  Ga  Ga5  1  0.712  0.625  0.587  1.0
  Ga  Ga6  1  0.375  0.962  0.087  1.0
  Ga  Ga7  1  0.038  0.125  0.413  1.0
  Sb  Sb8  1  0.421  0.921  0.500  1.0
  Sb  Sb9  1  0.671  0.671  0.000  1.0
  Sb  Sb10  1  0.329  0.329  0.000  1.0
  Sb  Sb11  1  0.079  0.579  0.500  1.0
  Sb  Sb12  1  0.000  0.000  0.000  1.0
  Sb  Sb13  1  0.750  0.250  0.500  1.0
  Sb  Sb14  1  0.250  0.750  0.500  1.0
  Sb  Sb15  1  0.500  0.500  0.000  1.0
[/CIF]
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