The material structure described by Na2MgNd2Ti3O10 crystallizes in the tetragonal I-4m2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms to form NdO12 cuboctahedra that share corners with eight equivalent Nd(1)O12 cuboctahedra, faces with five equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second Ti site, Ti(2) is bonded to two equivalent O(5) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, and faces with eight equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Nd(1), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing ONa2Nd2Ti2 octahedra. The corner-sharing octahedral tilt angles are 16°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Nd(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Nd(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Nd2MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.944
_cell_length_b   3.944
_cell_length_c   13.872
_cell_angle_alpha   98.173
_cell_angle_beta   98.173
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.398
_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  0.689  0.689  0.378  1.0
  Na  Na1  1  0.311  0.311  0.622  1.0
  Nd  Nd2  1  0.572  0.572  0.144  1.0
  Nd  Nd3  1  0.428  0.428  0.856  1.0
  Mg  Mg4  1  0.750  0.250  0.500  1.0
  Ti  Ti5  1  0.854  0.854  0.709  1.0
  Ti  Ti6  1  0.146  0.146  0.291  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.857  0.357  0.714  1.0
  O  O9  1  0.364  0.864  0.729  1.0
  O  O10  1  0.136  0.636  0.271  1.0
  O  O11  1  0.643  0.143  0.286  1.0
  O  O12  1  0.779  0.779  0.559  1.0
  O  O13  1  0.221  0.221  0.441  1.0
  O  O14  1  0.999  0.499  0.999  1.0
  O  O15  1  0.072  0.072  0.144  1.0
  O  O16  1  0.928  0.928  0.856  1.0
  O  O17  1  0.501  0.001  0.001  1.0
[/CIF]
.
The material structure described by Na2MgNd2Ti3O10 crystallizes in the tetragonal I-4m2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms to form NdO12 cuboctahedra that share corners with eight equivalent Nd(1)O12 cuboctahedra, faces with five equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second Ti site, Ti(2) is bonded to two equivalent O(5) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, and faces with eight equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Nd(1), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing ONa2Nd2Ti2 octahedra. The corner-sharing octahedral tilt angles are 16°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Nd(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Nd(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Nd2MgTi3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.944
_cell_length_b   3.944
_cell_length_c   13.872
_cell_angle_alpha   98.173
_cell_angle_beta   98.173
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.398
_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  0.689  0.689  0.378  1.0
  Na  Na1  1  0.311  0.311  0.622  1.0
  Nd  Nd2  1  0.572  0.572  0.144  1.0
  Nd  Nd3  1  0.428  0.428  0.856  1.0
  Mg  Mg4  1  0.750  0.250  0.500  1.0
  Ti  Ti5  1  0.854  0.854  0.709  1.0
  Ti  Ti6  1  0.146  0.146  0.291  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.857  0.357  0.714  1.0
  O  O9  1  0.364  0.864  0.729  1.0
  O  O10  1  0.136  0.636  0.271  1.0
  O  O11  1  0.643  0.143  0.286  1.0
  O  O12  1  0.779  0.779  0.559  1.0
  O  O13  1  0.221  0.221  0.441  1.0
  O  O14  1  0.999  0.499  0.999  1.0
  O  O15  1  0.072  0.072  0.144  1.0
  O  O16  1  0.928  0.928  0.856  1.0
  O  O17  1  0.501  0.001  0.001  1.0
[/CIF]
.