The crystal structure described by EuTiO3 crystallizes in the tetragonal I4/mcm space group. Eu(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted EuO12 cuboctahedra that share corners with twelve equivalent Eu(1)O12 cuboctahedra, faces with six equivalent Eu(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with eight equivalent Eu(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Eu(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Eu(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_EuTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.525
_cell_length_b   5.525
_cell_length_c   5.525
_cell_angle_alpha   89.083
_cell_angle_beta   120.530
_cell_angle_gamma   120.530
_symmetry_Int_Tables_number   1
_cell_volume   118.313
_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
  Eu  Eu0  1  0.500  0.250  0.750  1.0
  Eu  Eu1  1  0.500  0.750  0.250  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.750  0.750  1.0
  O  O5  1  1.000  0.250  0.250  1.0
  O  O6  1  0.084  0.792  0.292  1.0
  O  O7  1  0.916  0.208  0.708  1.0
  O  O8  1  0.500  0.708  0.792  1.0
  O  O9  1  0.500  0.292  0.208  1.0
[/CIF]
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The crystal structure described by EuTiO3 crystallizes in the tetragonal I4/mcm space group. Eu(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted EuO12 cuboctahedra that share corners with twelve equivalent Eu(1)O12 cuboctahedra, faces with six equivalent Eu(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with eight equivalent Eu(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Eu(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Eu(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_EuTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.525
_cell_length_b   5.525
_cell_length_c   5.525
_cell_angle_alpha   89.083
_cell_angle_beta   120.530
_cell_angle_gamma   120.530
_symmetry_Int_Tables_number   1
_cell_volume   118.313
_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
  Eu  Eu0  1  0.500  0.250  0.750  1.0
  Eu  Eu1  1  0.500  0.750  0.250  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.750  0.750  1.0
  O  O5  1  1.000  0.250  0.250  1.0
  O  O6  1  0.084  0.792  0.292  1.0
  O  O7  1  0.916  0.208  0.708  1.0
  O  O8  1  0.500  0.708  0.792  1.0
  O  O9  1  0.500  0.292  0.208  1.0
[/CIF]
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