The crystal structure described by NbIrSi crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded in a 11-coordinate geometry to six equivalent Ir(1) and five equivalent Si(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to six equivalent Nb(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Nb(1) and four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_NbSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.798
_cell_length_b   6.454
_cell_length_c   7.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.907
_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
  Nb  Nb0  1  0.750  0.524  0.172  1.0
  Nb  Nb1  1  0.250  0.976  0.672  1.0
  Nb  Nb2  1  0.750  0.024  0.328  1.0
  Nb  Nb3  1  0.250  0.476  0.828  1.0
  Si  Si4  1  0.250  0.230  0.124  1.0
  Si  Si5  1  0.250  0.730  0.376  1.0
  Si  Si6  1  0.750  0.770  0.876  1.0
  Si  Si7  1  0.750  0.270  0.624  1.0
  Ir  Ir8  1  0.250  0.855  0.064  1.0
  Ir  Ir9  1  0.250  0.355  0.436  1.0
  Ir  Ir10  1  0.750  0.645  0.564  1.0
  Ir  Ir11  1  0.750  0.145  0.936  1.0
[/CIF]
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The crystal structure described by NbIrSi crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded in a 11-coordinate geometry to six equivalent Ir(1) and five equivalent Si(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to six equivalent Nb(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Nb(1) and four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_NbSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.798
_cell_length_b   6.454
_cell_length_c   7.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.907
_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
  Nb  Nb0  1  0.750  0.524  0.172  1.0
  Nb  Nb1  1  0.250  0.976  0.672  1.0
  Nb  Nb2  1  0.750  0.024  0.328  1.0
  Nb  Nb3  1  0.250  0.476  0.828  1.0
  Si  Si4  1  0.250  0.230  0.124  1.0
  Si  Si5  1  0.250  0.730  0.376  1.0
  Si  Si6  1  0.750  0.770  0.876  1.0
  Si  Si7  1  0.750  0.270  0.624  1.0
  Ir  Ir8  1  0.250  0.855  0.064  1.0
  Ir  Ir9  1  0.250  0.355  0.436  1.0
  Ir  Ir10  1  0.750  0.645  0.564  1.0
  Ir  Ir11  1  0.750  0.145  0.936  1.0
[/CIF]
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