The material structure described by Nd(PO3)3 crystallizes in the orthorhombic C222_1 space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   7.044
_cell_length_c   7.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.312
_symmetry_Int_Tables_number   1
_cell_volume   349.148
_cell_formula_units_Z   2
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  0.876  0.876  0.000  1.0
  Nd  Nd1  1  0.124  0.124  0.500  1.0
  P  P2  1  0.335  0.685  0.046  1.0
  P  P3  1  0.665  0.315  0.546  1.0
  P  P4  1  0.685  0.335  0.954  1.0
  P  P5  1  0.315  0.665  0.454  1.0
  P  P6  1  0.251  0.251  0.000  1.0
  P  P7  1  0.749  0.749  0.500  1.0
  O  O8  1  0.253  0.470  0.958  1.0
  O  O9  1  0.747  0.530  0.458  1.0
  O  O10  1  0.470  0.253  0.042  1.0
  O  O11  1  0.530  0.747  0.542  1.0
  O  O12  1  0.781  0.528  0.038  1.0
  O  O13  1  0.219  0.472  0.538  1.0
  O  O14  1  0.528  0.781  0.962  1.0
  O  O15  1  0.472  0.219  0.462  1.0
  O  O16  1  0.374  0.626  0.250  1.0
  O  O17  1  0.626  0.374  0.750  1.0
  O  O18  1  0.827  0.866  0.332  1.0
  O  O19  1  0.173  0.134  0.832  1.0
  O  O20  1  0.866  0.827  0.668  1.0
  O  O21  1  0.134  0.173  0.168  1.0
  O  O22  1  0.216  0.825  0.463  1.0
  O  O23  1  0.784  0.175  0.963  1.0
  O  O24  1  0.825  0.216  0.537  1.0
  O  O25  1  0.175  0.784  0.037  1.0
[/CIF]
.
The material structure described by Nd(PO3)3 crystallizes in the orthorhombic C222_1 space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   7.044
_cell_length_c   7.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.312
_symmetry_Int_Tables_number   1
_cell_volume   349.148
_cell_formula_units_Z   2
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  0.876  0.876  0.000  1.0
  Nd  Nd1  1  0.124  0.124  0.500  1.0
  P  P2  1  0.335  0.685  0.046  1.0
  P  P3  1  0.665  0.315  0.546  1.0
  P  P4  1  0.685  0.335  0.954  1.0
  P  P5  1  0.315  0.665  0.454  1.0
  P  P6  1  0.251  0.251  0.000  1.0
  P  P7  1  0.749  0.749  0.500  1.0
  O  O8  1  0.253  0.470  0.958  1.0
  O  O9  1  0.747  0.530  0.458  1.0
  O  O10  1  0.470  0.253  0.042  1.0
  O  O11  1  0.530  0.747  0.542  1.0
  O  O12  1  0.781  0.528  0.038  1.0
  O  O13  1  0.219  0.472  0.538  1.0
  O  O14  1  0.528  0.781  0.962  1.0
  O  O15  1  0.472  0.219  0.462  1.0
  O  O16  1  0.374  0.626  0.250  1.0
  O  O17  1  0.626  0.374  0.750  1.0
  O  O18  1  0.827  0.866  0.332  1.0
  O  O19  1  0.173  0.134  0.832  1.0
  O  O20  1  0.866  0.827  0.668  1.0
  O  O21  1  0.134  0.173  0.168  1.0
  O  O22  1  0.216  0.825  0.463  1.0
  O  O23  1  0.784  0.175  0.963  1.0
  O  O24  1  0.825  0.216  0.537  1.0
  O  O25  1  0.175  0.784  0.037  1.0
[/CIF]
.