The crystal structure described by SmNdTi4O12 crystallizes in the orthorhombic Amm2 space group. Sm(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Nd(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Sm(1), one Nd(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Nd(1) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sm(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdSmTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   5.465
_cell_length_c   7.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.579
_symmetry_Int_Tables_number   1
_cell_volume   230.695
_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
  Nd  Nd0  1  0.523  0.523  0.000  1.0
  Sm  Sm1  1  0.978  0.978  0.500  1.0
  Ti  Ti2  1  0.491  0.010  0.749  1.0
  Ti  Ti3  1  0.491  0.010  0.251  1.0
  Ti  Ti4  1  0.010  0.491  0.251  1.0
  Ti  Ti5  1  0.010  0.491  0.749  1.0
  O  O6  1  0.781  0.217  0.737  1.0
  O  O7  1  0.217  0.781  0.737  1.0
  O  O8  1  0.217  0.781  0.263  1.0
  O  O9  1  0.781  0.217  0.263  1.0
  O  O10  1  0.735  0.735  0.719  1.0
  O  O11  1  0.294  0.294  0.793  1.0
  O  O12  1  0.294  0.294  0.207  1.0
  O  O13  1  0.735  0.735  0.281  1.0
  O  O14  1  0.513  0.951  0.000  1.0
  O  O15  1  0.448  0.031  0.500  1.0
  O  O16  1  0.951  0.513  0.000  1.0
  O  O17  1  0.031  0.448  0.500  1.0
[/CIF]
.
The crystal structure described by SmNdTi4O12 crystallizes in the orthorhombic Amm2 space group. Sm(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Nd(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Sm(1), one Nd(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Nd(1) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sm(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdSmTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   5.465
_cell_length_c   7.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.579
_symmetry_Int_Tables_number   1
_cell_volume   230.695
_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
  Nd  Nd0  1  0.523  0.523  0.000  1.0
  Sm  Sm1  1  0.978  0.978  0.500  1.0
  Ti  Ti2  1  0.491  0.010  0.749  1.0
  Ti  Ti3  1  0.491  0.010  0.251  1.0
  Ti  Ti4  1  0.010  0.491  0.251  1.0
  Ti  Ti5  1  0.010  0.491  0.749  1.0
  O  O6  1  0.781  0.217  0.737  1.0
  O  O7  1  0.217  0.781  0.737  1.0
  O  O8  1  0.217  0.781  0.263  1.0
  O  O9  1  0.781  0.217  0.263  1.0
  O  O10  1  0.735  0.735  0.719  1.0
  O  O11  1  0.294  0.294  0.793  1.0
  O  O12  1  0.294  0.294  0.207  1.0
  O  O13  1  0.735  0.735  0.281  1.0
  O  O14  1  0.513  0.951  0.000  1.0
  O  O15  1  0.448  0.031  0.500  1.0
  O  O16  1  0.951  0.513  0.000  1.0
  O  O17  1  0.031  0.448  0.500  1.0
[/CIF]
.