The crystal structure described by NaNd3Ti3MnO12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(7) atom. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(5), one O(8), and one O(9) atom. In the third Nd site, Nd(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(7) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), two equivalent O(5), and two equivalent O(9) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-29°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Mn(1) is bonded to one O(1), one O(12), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(3), one Ti(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Ti(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), one Ti(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), and two equivalent Ti(1) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Ti(2), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Nd(2), one Ti(1), and one Ti(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(3), one Ti(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_NaNd3Ti3MnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.535
_cell_length_b   5.528
_cell_length_c   15.737
_cell_angle_alpha   89.909
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.514
_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
  Na  Na0  1  0.491  0.750  0.622  1.0
  Na  Na1  1  0.991  0.250  0.378  1.0
  Nd  Nd2  1  0.020  0.235  0.125  1.0
  Nd  Nd3  1  0.013  0.242  0.618  1.0
  Nd  Nd4  1  0.484  0.736  0.125  1.0
  Nd  Nd5  1  0.520  0.765  0.875  1.0
  Nd  Nd6  1  0.513  0.758  0.382  1.0
  Nd  Nd7  1  0.984  0.264  0.875  1.0
  Ti  Ti8  1  0.000  0.749  0.501  1.0
  Ti  Ti9  1  0.500  0.251  0.499  1.0
  Ti  Ti10  1  0.492  0.253  0.746  1.0
  Ti  Ti11  1  0.505  0.248  0.255  1.0
  Ti  Ti12  1  0.005  0.752  0.745  1.0
  Ti  Ti13  1  0.992  0.747  0.254  1.0
  Mn  Mn14  1  0.001  0.750  1.000  1.0
  Mn  Mn15  1  0.501  0.250  0.000  1.0
  O  O16  1  0.905  0.762  0.136  1.0
  O  O17  1  0.926  0.754  0.623  1.0
  O  O18  1  0.745  0.999  0.276  1.0
  O  O19  1  0.739  0.512  0.971  1.0
  O  O20  1  0.746  0.506  0.480  1.0
  O  O21  1  0.763  0.012  0.971  1.0
  O  O22  1  0.758  0.008  0.774  1.0
  O  O23  1  0.732  0.517  0.276  1.0
  O  O24  1  0.752  1.000  0.480  1.0
  O  O25  1  0.742  0.505  0.775  1.0
  O  O26  1  0.587  0.250  0.624  1.0
  O  O27  1  0.600  0.263  0.136  1.0
  O  O28  1  0.405  0.238  0.864  1.0
  O  O29  1  0.426  0.246  0.377  1.0
  O  O30  1  0.245  0.001  0.724  1.0
  O  O31  1  0.258  0.992  0.226  1.0
  O  O32  1  0.232  0.483  0.724  1.0
  O  O33  1  0.239  0.488  0.029  1.0
  O  O34  1  0.242  0.495  0.225  1.0
  O  O35  1  0.263  0.988  0.029  1.0
  O  O36  1  0.246  0.494  0.520  1.0
  O  O37  1  0.252  0.000  0.520  1.0
  O  O38  1  0.100  0.737  0.864  1.0
  O  O39  1  0.087  0.750  0.376  1.0
[/CIF]
.
The crystal structure described by NaNd3Ti3MnO12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(7) atom. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(5), one O(8), and one O(9) atom. In the third Nd site, Nd(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(7) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), two equivalent O(5), and two equivalent O(9) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-29°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Mn(1) is bonded to one O(1), one O(12), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(3), one Ti(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Ti(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), one Ti(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Nd(2), and two equivalent Ti(1) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Ti(2), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Nd(2), one Ti(1), and one Ti(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(3), one Ti(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_NaNd3Ti3MnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.535
_cell_length_b   5.528
_cell_length_c   15.737
_cell_angle_alpha   89.909
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.514
_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
  Na  Na0  1  0.491  0.750  0.622  1.0
  Na  Na1  1  0.991  0.250  0.378  1.0
  Nd  Nd2  1  0.020  0.235  0.125  1.0
  Nd  Nd3  1  0.013  0.242  0.618  1.0
  Nd  Nd4  1  0.484  0.736  0.125  1.0
  Nd  Nd5  1  0.520  0.765  0.875  1.0
  Nd  Nd6  1  0.513  0.758  0.382  1.0
  Nd  Nd7  1  0.984  0.264  0.875  1.0
  Ti  Ti8  1  0.000  0.749  0.501  1.0
  Ti  Ti9  1  0.500  0.251  0.499  1.0
  Ti  Ti10  1  0.492  0.253  0.746  1.0
  Ti  Ti11  1  0.505  0.248  0.255  1.0
  Ti  Ti12  1  0.005  0.752  0.745  1.0
  Ti  Ti13  1  0.992  0.747  0.254  1.0
  Mn  Mn14  1  0.001  0.750  1.000  1.0
  Mn  Mn15  1  0.501  0.250  0.000  1.0
  O  O16  1  0.905  0.762  0.136  1.0
  O  O17  1  0.926  0.754  0.623  1.0
  O  O18  1  0.745  0.999  0.276  1.0
  O  O19  1  0.739  0.512  0.971  1.0
  O  O20  1  0.746  0.506  0.480  1.0
  O  O21  1  0.763  0.012  0.971  1.0
  O  O22  1  0.758  0.008  0.774  1.0
  O  O23  1  0.732  0.517  0.276  1.0
  O  O24  1  0.752  1.000  0.480  1.0
  O  O25  1  0.742  0.505  0.775  1.0
  O  O26  1  0.587  0.250  0.624  1.0
  O  O27  1  0.600  0.263  0.136  1.0
  O  O28  1  0.405  0.238  0.864  1.0
  O  O29  1  0.426  0.246  0.377  1.0
  O  O30  1  0.245  0.001  0.724  1.0
  O  O31  1  0.258  0.992  0.226  1.0
  O  O32  1  0.232  0.483  0.724  1.0
  O  O33  1  0.239  0.488  0.029  1.0
  O  O34  1  0.242  0.495  0.225  1.0
  O  O35  1  0.263  0.988  0.029  1.0
  O  O36  1  0.246  0.494  0.520  1.0
  O  O37  1  0.252  0.000  0.520  1.0
  O  O38  1  0.100  0.737  0.864  1.0
  O  O39  1  0.087  0.750  0.376  1.0
[/CIF]
.