The material structure described by NdIr3B2 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Nd(1), twelve equivalent Ir(1), and six equivalent B(1) atoms. Ir(1) is bonded in a distorted square co-planar geometry to four equivalent Nd(1) and four equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1) and six equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_NdB2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.967
_cell_length_b   5.656
_cell_length_c   5.656
_cell_angle_alpha   119.998
_cell_angle_beta   90.019
_cell_angle_gamma   90.019
_symmetry_Int_Tables_number   1
_cell_volume   82.202
_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  0.500  0.500  0.500  1.0
  B  B1  1  0.500  0.833  0.167  1.0
  B  B2  1  0.500  0.167  0.833  1.0
  Ir  Ir3  1  0.000  0.500  0.000  1.0
  Ir  Ir4  1  0.000  0.000  0.500  1.0
  Ir  Ir5  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by NdIr3B2 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Nd(1), twelve equivalent Ir(1), and six equivalent B(1) atoms. Ir(1) is bonded in a distorted square co-planar geometry to four equivalent Nd(1) and four equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1) and six equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_NdB2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.967
_cell_length_b   5.656
_cell_length_c   5.656
_cell_angle_alpha   119.998
_cell_angle_beta   90.019
_cell_angle_gamma   90.019
_symmetry_Int_Tables_number   1
_cell_volume   82.202
_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  0.500  0.500  0.500  1.0
  B  B1  1  0.500  0.833  0.167  1.0
  B  B2  1  0.500  0.167  0.833  1.0
  Ir  Ir3  1  0.000  0.500  0.000  1.0
  Ir  Ir4  1  0.000  0.000  0.500  1.0
  Ir  Ir5  1  0.000  0.000  0.000  1.0
[/CIF]
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