The compound described by NaSr2LaTi4O12 crystallizes in the tetragonal P-42m space group. Na(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSr2LaTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.541
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.137
_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
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.500  1.0
  La  La3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.000  0.500  0.248  1.0
  Ti  Ti5  1  0.500  0.000  0.752  1.0
  Ti  Ti6  1  0.500  0.000  0.248  1.0
  Ti  Ti7  1  0.000  0.500  0.752  1.0
  O  O8  1  0.217  0.217  0.754  1.0
  O  O9  1  0.728  0.728  0.249  1.0
  O  O10  1  0.272  0.272  0.249  1.0
  O  O11  1  0.783  0.783  0.754  1.0
  O  O12  1  0.783  0.217  0.246  1.0
  O  O13  1  0.272  0.728  0.751  1.0
  O  O14  1  0.217  0.783  0.246  1.0
  O  O15  1  0.728  0.272  0.751  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.000  0.500  1.0
  O  O18  1  0.500  0.000  0.000  1.0
  O  O19  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by NaSr2LaTi4O12 crystallizes in the tetragonal P-42m space group. Na(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSr2LaTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.541
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.137
_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
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.500  1.0
  La  La3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.000  0.500  0.248  1.0
  Ti  Ti5  1  0.500  0.000  0.752  1.0
  Ti  Ti6  1  0.500  0.000  0.248  1.0
  Ti  Ti7  1  0.000  0.500  0.752  1.0
  O  O8  1  0.217  0.217  0.754  1.0
  O  O9  1  0.728  0.728  0.249  1.0
  O  O10  1  0.272  0.272  0.249  1.0
  O  O11  1  0.783  0.783  0.754  1.0
  O  O12  1  0.783  0.217  0.246  1.0
  O  O13  1  0.272  0.728  0.751  1.0
  O  O14  1  0.217  0.783  0.246  1.0
  O  O15  1  0.728  0.272  0.751  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.000  0.500  1.0
  O  O18  1  0.500  0.000  0.000  1.0
  O  O19  1  0.000  0.500  0.500  1.0
[/CIF]
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