The crystal structure described by SrLa3Ti2(CoO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4m2 space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent La(3)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. There are three inequivalent La sites. In the first La site, La(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the second La site, La(2) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent La(3)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the third La site, La(3) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one La(1), one La(2), one La(3), one Ti(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent La(1), one Ti(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr2La2TiCo octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(2), two equivalent La(3), one Ti(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa3Ti2(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   7.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.822
_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
  Sr  Sr0  1  0.500  0.500  0.000  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.500  0.500  0.500  1.0
  La  La3  1  0.000  0.000  0.500  1.0
  Ti  Ti4  1  0.000  0.500  0.752  1.0
  Ti  Ti5  1  0.500  0.000  0.248  1.0
  Co  Co6  1  0.500  0.000  0.749  1.0
  Co  Co7  1  0.000  0.500  0.251  1.0
  O  O8  1  0.245  0.753  0.743  1.0
  O  O9  1  0.755  0.247  0.743  1.0
  O  O10  1  0.247  0.755  0.257  1.0
  O  O11  1  0.753  0.245  0.257  1.0
  O  O12  1  0.245  0.247  0.743  1.0
  O  O13  1  0.755  0.753  0.743  1.0
  O  O14  1  0.247  0.245  0.257  1.0
  O  O15  1  0.753  0.755  0.257  1.0
  O  O16  1  0.500  0.000  0.998  1.0
  O  O17  1  0.000  0.500  0.002  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by SrLa3Ti2(CoO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4m2 space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent La(3)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. There are three inequivalent La sites. In the first La site, La(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the second La site, La(2) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent La(3)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the third La site, La(3) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one La(1), one La(2), one La(3), one Ti(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent La(1), one Ti(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr2La2TiCo octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(2), two equivalent La(3), one Ti(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa3Ti2(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   7.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.822
_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
  Sr  Sr0  1  0.500  0.500  0.000  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.500  0.500  0.500  1.0
  La  La3  1  0.000  0.000  0.500  1.0
  Ti  Ti4  1  0.000  0.500  0.752  1.0
  Ti  Ti5  1  0.500  0.000  0.248  1.0
  Co  Co6  1  0.500  0.000  0.749  1.0
  Co  Co7  1  0.000  0.500  0.251  1.0
  O  O8  1  0.245  0.753  0.743  1.0
  O  O9  1  0.755  0.247  0.743  1.0
  O  O10  1  0.247  0.755  0.257  1.0
  O  O11  1  0.753  0.245  0.257  1.0
  O  O12  1  0.245  0.247  0.743  1.0
  O  O13  1  0.755  0.753  0.743  1.0
  O  O14  1  0.247  0.245  0.257  1.0
  O  O15  1  0.753  0.755  0.257  1.0
  O  O16  1  0.500  0.000  0.998  1.0
  O  O17  1  0.000  0.500  0.002  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.000  0.500  0.500  1.0
[/CIF]
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