The material described by NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. Nd(1) is bonded to eight equivalent O(1) atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent Nd(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Nd(1)O8 hexagonal bipyramids and edges with two equivalent Nd(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NdPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.114
_cell_length_b   7.114
_cell_length_c   6.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.327
_cell_formula_units_Z   3
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  0.500  0.667  1.0
  Nd  Nd1  1  0.500  0.500  0.333  1.0
  Nd  Nd2  1  0.500  0.000  0.000  1.0
  P  P3  1  0.000  0.500  0.167  1.0
  P  P4  1  0.500  0.500  0.833  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.446  0.309  0.982  1.0
  O  O7  1  0.691  0.137  0.648  1.0
  O  O8  1  0.863  0.554  0.315  1.0
  O  O9  1  0.137  0.446  0.315  1.0
  O  O10  1  0.554  0.863  0.352  1.0
  O  O11  1  0.554  0.691  0.982  1.0
  O  O12  1  0.446  0.137  0.352  1.0
  O  O13  1  0.309  0.446  0.685  1.0
  O  O14  1  0.137  0.691  0.018  1.0
  O  O15  1  0.863  0.309  0.018  1.0
  O  O16  1  0.691  0.554  0.685  1.0
  O  O17  1  0.309  0.863  0.648  1.0
[/CIF]
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The material described by NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. Nd(1) is bonded to eight equivalent O(1) atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent Nd(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Nd(1)O8 hexagonal bipyramids and edges with two equivalent Nd(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NdPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.114
_cell_length_b   7.114
_cell_length_c   6.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.327
_cell_formula_units_Z   3
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  0.500  0.667  1.0
  Nd  Nd1  1  0.500  0.500  0.333  1.0
  Nd  Nd2  1  0.500  0.000  0.000  1.0
  P  P3  1  0.000  0.500  0.167  1.0
  P  P4  1  0.500  0.500  0.833  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.446  0.309  0.982  1.0
  O  O7  1  0.691  0.137  0.648  1.0
  O  O8  1  0.863  0.554  0.315  1.0
  O  O9  1  0.137  0.446  0.315  1.0
  O  O10  1  0.554  0.863  0.352  1.0
  O  O11  1  0.554  0.691  0.982  1.0
  O  O12  1  0.446  0.137  0.352  1.0
  O  O13  1  0.309  0.446  0.685  1.0
  O  O14  1  0.137  0.691  0.018  1.0
  O  O15  1  0.863  0.309  0.018  1.0
  O  O16  1  0.691  0.554  0.685  1.0
  O  O17  1  0.309  0.863  0.648  1.0
[/CIF]
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