The material described by BaNd2Ti3O10 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 7-coordinate geometry to one O(7) and six equivalent O(2) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(7), and four equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Ti(1), and one Ti(2) atom. In the second O site, O(4) is bonded in a distorted linear geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Ti(2) atoms. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Ti(2) atoms. In the fourth O site, O(6) is bonded to two equivalent Nd(2) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 tetrahedra that share corners with two equivalent O(2)Ba3Ti tetrahedra, corners with two equivalent O(6)Nd2Ti2 tetrahedra, and edges with four equivalent O(1)Nd2Ti2 trigonal pyramids. In the fifth O site, O(7) is bonded in a distorted linear geometry to one Ba(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. In the sixth O site, O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Ti(1) atoms to form distorted ONd2Ti2 trigonal pyramids that share corners with two equivalent O(2)Ba3Ti tetrahedra, corners with four equivalent O(1)Nd2Ti2 trigonal pyramids, and edges with two equivalent O(6)Nd2Ti2 tetrahedra. In the seventh O site, O(2) is bonded to three equivalent Ba(1) and one Ti(1) atom to form distorted OBa3Ti tetrahedra that share  a cornercorner with one O(6)Nd2Ti2 tetrahedra, corners with nine equivalent O(2)Ba3Ti tetrahedra, corners with two equivalent O(1)Nd2Ti2 trigonal pyramids, and edges with three equivalent O(2)Ba3Ti tetrahedra. is represented by the CIF card [CIF]
data_BaNd2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.380
_cell_length_b   14.380
_cell_length_c   7.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   164.301
_symmetry_Int_Tables_number   1
_cell_volume   430.529
_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
  Ba  Ba0  1  0.257  0.743  0.750  1.0
  Ba  Ba1  1  0.743  0.257  0.250  1.0
  Nd  Nd2  1  0.420  0.580  0.250  1.0
  Nd  Nd3  1  0.580  0.420  0.750  1.0
  Nd  Nd4  1  0.427  0.573  0.750  1.0
  Nd  Nd5  1  0.573  0.427  0.250  1.0
  Ti  Ti6  1  0.146  0.854  0.495  1.0
  Ti  Ti7  1  0.854  0.146  0.505  1.0
  Ti  Ti8  1  0.854  0.146  0.995  1.0
  Ti  Ti9  1  0.146  0.854  0.005  1.0
  Ti  Ti10  1  0.000  0.000  0.500  1.0
  Ti  Ti11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.630  0.370  0.493  1.0
  O  O13  1  0.370  0.630  0.507  1.0
  O  O14  1  0.370  0.630  0.993  1.0
  O  O15  1  0.630  0.370  0.007  1.0
  O  O16  1  0.207  0.793  0.453  1.0
  O  O17  1  0.793  0.207  0.547  1.0
  O  O18  1  0.793  0.207  0.953  1.0
  O  O19  1  0.207  0.793  0.047  1.0
  O  O20  1  0.066  0.934  0.555  1.0
  O  O21  1  0.934  0.066  0.445  1.0
  O  O22  1  0.934  0.066  0.055  1.0
  O  O23  1  0.066  0.934  0.945  1.0
  O  O24  1  0.500  0.500  0.000  1.0
  O  O25  1  0.500  0.500  0.500  1.0
  O  O26  1  0.982  0.018  0.750  1.0
  O  O27  1  0.018  0.982  0.250  1.0
  O  O28  1  0.878  0.122  0.750  1.0
  O  O29  1  0.122  0.878  0.250  1.0
  O  O30  1  0.147  0.853  0.750  1.0
  O  O31  1  0.853  0.147  0.250  1.0
[/CIF]
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The material described by BaNd2Ti3O10 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 7-coordinate geometry to one O(7) and six equivalent O(2) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(7), and four equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Ti(1), and one Ti(2) atom. In the second O site, O(4) is bonded in a distorted linear geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Ti(2) atoms. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Ti(2) atoms. In the fourth O site, O(6) is bonded to two equivalent Nd(2) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 tetrahedra that share corners with two equivalent O(2)Ba3Ti tetrahedra, corners with two equivalent O(6)Nd2Ti2 tetrahedra, and edges with four equivalent O(1)Nd2Ti2 trigonal pyramids. In the fifth O site, O(7) is bonded in a distorted linear geometry to one Ba(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. In the sixth O site, O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Ti(1) atoms to form distorted ONd2Ti2 trigonal pyramids that share corners with two equivalent O(2)Ba3Ti tetrahedra, corners with four equivalent O(1)Nd2Ti2 trigonal pyramids, and edges with two equivalent O(6)Nd2Ti2 tetrahedra. In the seventh O site, O(2) is bonded to three equivalent Ba(1) and one Ti(1) atom to form distorted OBa3Ti tetrahedra that share  a cornercorner with one O(6)Nd2Ti2 tetrahedra, corners with nine equivalent O(2)Ba3Ti tetrahedra, corners with two equivalent O(1)Nd2Ti2 trigonal pyramids, and edges with three equivalent O(2)Ba3Ti tetrahedra. is represented by the CIF card [CIF]
data_BaNd2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.380
_cell_length_b   14.380
_cell_length_c   7.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   164.301
_symmetry_Int_Tables_number   1
_cell_volume   430.529
_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
  Ba  Ba0  1  0.257  0.743  0.750  1.0
  Ba  Ba1  1  0.743  0.257  0.250  1.0
  Nd  Nd2  1  0.420  0.580  0.250  1.0
  Nd  Nd3  1  0.580  0.420  0.750  1.0
  Nd  Nd4  1  0.427  0.573  0.750  1.0
  Nd  Nd5  1  0.573  0.427  0.250  1.0
  Ti  Ti6  1  0.146  0.854  0.495  1.0
  Ti  Ti7  1  0.854  0.146  0.505  1.0
  Ti  Ti8  1  0.854  0.146  0.995  1.0
  Ti  Ti9  1  0.146  0.854  0.005  1.0
  Ti  Ti10  1  0.000  0.000  0.500  1.0
  Ti  Ti11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.630  0.370  0.493  1.0
  O  O13  1  0.370  0.630  0.507  1.0
  O  O14  1  0.370  0.630  0.993  1.0
  O  O15  1  0.630  0.370  0.007  1.0
  O  O16  1  0.207  0.793  0.453  1.0
  O  O17  1  0.793  0.207  0.547  1.0
  O  O18  1  0.793  0.207  0.953  1.0
  O  O19  1  0.207  0.793  0.047  1.0
  O  O20  1  0.066  0.934  0.555  1.0
  O  O21  1  0.934  0.066  0.445  1.0
  O  O22  1  0.934  0.066  0.055  1.0
  O  O23  1  0.066  0.934  0.945  1.0
  O  O24  1  0.500  0.500  0.000  1.0
  O  O25  1  0.500  0.500  0.500  1.0
  O  O26  1  0.982  0.018  0.750  1.0
  O  O27  1  0.018  0.982  0.250  1.0
  O  O28  1  0.878  0.122  0.750  1.0
  O  O29  1  0.122  0.878  0.250  1.0
  O  O30  1  0.147  0.853  0.750  1.0
  O  O31  1  0.853  0.147  0.250  1.0
[/CIF]
.