The structure described by NdP3 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent P(2) and eight equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing NdP12 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent P(1) atoms. In the second P site, P(2) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_NdP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   5.589
_cell_length_c   5.589
_cell_angle_alpha   138.060
_cell_angle_beta   138.060
_cell_angle_gamma   60.811
_symmetry_Int_Tables_number   1
_cell_volume   77.128
_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  0.000  0.000  0.000  1.0
  P  P1  1  0.750  0.250  0.500  1.0
  P  P2  1  0.250  0.750  0.500  1.0
  P  P3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by NdP3 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent P(2) and eight equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing NdP12 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent P(1) atoms. In the second P site, P(2) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_NdP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   5.589
_cell_length_c   5.589
_cell_angle_alpha   138.060
_cell_angle_beta   138.060
_cell_angle_gamma   60.811
_symmetry_Int_Tables_number   1
_cell_volume   77.128
_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  0.000  0.000  0.000  1.0
  P  P1  1  0.750  0.250  0.500  1.0
  P  P2  1  0.250  0.750  0.500  1.0
  P  P3  1  0.500  0.500  0.000  1.0
[/CIF]
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