The structure described by Na3Nd(AsO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one O(1) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Nd(1) is bonded to six equivalent O(2) atoms to form NdO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1) and three equivalent O(2) atoms to form AsO4 tetrahedra that share corners with three equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Na(1) and one As(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(2), one Nd(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Nd(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.926
_cell_length_b   5.926
_cell_length_c   7.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   224.611
_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
  Na  Na0  1  0.333  0.667  0.699  1.0
  Na  Na1  1  0.667  0.333  0.301  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.500  1.0
  As  As4  1  0.333  0.667  0.215  1.0
  As  As5  1  0.667  0.333  0.785  1.0
  O  O6  1  0.333  0.667  0.989  1.0
  O  O7  1  0.667  0.333  0.011  1.0
  O  O8  1  0.178  0.822  0.306  1.0
  O  O9  1  0.822  0.178  0.694  1.0
  O  O10  1  0.178  0.355  0.306  1.0
  O  O11  1  0.822  0.645  0.694  1.0
  O  O12  1  0.645  0.822  0.306  1.0
  O  O13  1  0.355  0.178  0.694  1.0
[/CIF]
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The structure described by Na3Nd(AsO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one O(1) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Nd(1) is bonded to six equivalent O(2) atoms to form NdO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1) and three equivalent O(2) atoms to form AsO4 tetrahedra that share corners with three equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Na(1) and one As(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(2), one Nd(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Nd(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.926
_cell_length_b   5.926
_cell_length_c   7.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   224.611
_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
  Na  Na0  1  0.333  0.667  0.699  1.0
  Na  Na1  1  0.667  0.333  0.301  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.500  1.0
  As  As4  1  0.333  0.667  0.215  1.0
  As  As5  1  0.667  0.333  0.785  1.0
  O  O6  1  0.333  0.667  0.989  1.0
  O  O7  1  0.667  0.333  0.011  1.0
  O  O8  1  0.178  0.822  0.306  1.0
  O  O9  1  0.822  0.178  0.694  1.0
  O  O10  1  0.178  0.355  0.306  1.0
  O  O11  1  0.822  0.645  0.694  1.0
  O  O12  1  0.645  0.822  0.306  1.0
  O  O13  1  0.355  0.178  0.694  1.0
[/CIF]
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