The crystal structure described by NaNdNb4O12 crystallizes in the orthorhombic Cmmm space group. Na(1) is bonded to four equivalent O(2) and four equivalent O(3) atoms to form distorted NaO8 cuboctahedra that share corners with four equivalent Na(1)O8 cuboctahedra, corners with four equivalent Nd(1)O12 cuboctahedra, and edges with eight equivalent Nb(1)O6 octahedra. Nd(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form NdO12 cuboctahedra that share corners with four equivalent Na(1)O8 cuboctahedra, corners with four equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, edges with two equivalent Na(1)O8 cuboctahedra, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), one Nd(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NaNdNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.633
_cell_length_c   7.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   253.587
_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  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.000  0.500  0.247  1.0
  Nb  Nb3  1  0.000  0.500  0.753  1.0
  Nb  Nb4  1  0.500  0.000  0.753  1.0
  Nb  Nb5  1  0.500  0.000  0.247  1.0
  O  O6  1  0.225  0.225  0.267  1.0
  O  O7  1  0.225  0.225  0.733  1.0
  O  O8  1  0.775  0.775  0.267  1.0
  O  O9  1  0.775  0.775  0.733  1.0
  O  O10  1  0.740  0.260  0.260  1.0
  O  O11  1  0.740  0.260  0.740  1.0
  O  O12  1  0.260  0.740  0.260  1.0
  O  O13  1  0.260  0.740  0.740  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.500  0.000  0.000  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
.
The crystal structure described by NaNdNb4O12 crystallizes in the orthorhombic Cmmm space group. Na(1) is bonded to four equivalent O(2) and four equivalent O(3) atoms to form distorted NaO8 cuboctahedra that share corners with four equivalent Na(1)O8 cuboctahedra, corners with four equivalent Nd(1)O12 cuboctahedra, and edges with eight equivalent Nb(1)O6 octahedra. Nd(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form NdO12 cuboctahedra that share corners with four equivalent Na(1)O8 cuboctahedra, corners with four equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, edges with two equivalent Na(1)O8 cuboctahedra, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), one Nd(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NaNdNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.633
_cell_length_c   7.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   253.587
_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  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.000  0.500  0.247  1.0
  Nb  Nb3  1  0.000  0.500  0.753  1.0
  Nb  Nb4  1  0.500  0.000  0.753  1.0
  Nb  Nb5  1  0.500  0.000  0.247  1.0
  O  O6  1  0.225  0.225  0.267  1.0
  O  O7  1  0.225  0.225  0.733  1.0
  O  O8  1  0.775  0.775  0.267  1.0
  O  O9  1  0.775  0.775  0.733  1.0
  O  O10  1  0.740  0.260  0.260  1.0
  O  O11  1  0.740  0.260  0.740  1.0
  O  O12  1  0.260  0.740  0.260  1.0
  O  O13  1  0.260  0.740  0.740  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.500  0.000  0.000  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
.