The material described by SrCeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ce(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Ce(1) atoms to form distorted corner-sharing OSr2Ce2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.174
_cell_length_c   8.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.880
_cell_formula_units_Z   4
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  0.987  0.452  0.250  1.0
  Sr  Sr1  1  0.487  0.048  0.750  1.0
  Sr  Sr2  1  0.513  0.952  0.250  1.0
  Sr  Sr3  1  0.013  0.548  0.750  1.0
  Ce  Ce4  1  0.500  0.500  0.500  1.0
  Ce  Ce5  1  0.500  0.500  0.000  1.0
  Ce  Ce6  1  0.000  0.000  0.000  1.0
  Ce  Ce7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.392  0.546  0.250  1.0
  O  O9  1  0.300  0.799  0.558  1.0
  O  O10  1  0.800  0.701  0.442  1.0
  O  O11  1  0.700  0.201  0.442  1.0
  O  O12  1  0.200  0.299  0.942  1.0
  O  O13  1  0.200  0.299  0.558  1.0
  O  O14  1  0.800  0.701  0.058  1.0
  O  O15  1  0.892  0.954  0.750  1.0
  O  O16  1  0.108  0.046  0.250  1.0
  O  O17  1  0.700  0.201  0.058  1.0
  O  O18  1  0.608  0.454  0.750  1.0
  O  O19  1  0.300  0.799  0.942  1.0
[/CIF]
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The material described by SrCeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ce(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Ce(1) atoms to form distorted corner-sharing OSr2Ce2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.174
_cell_length_c   8.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.880
_cell_formula_units_Z   4
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  0.987  0.452  0.250  1.0
  Sr  Sr1  1  0.487  0.048  0.750  1.0
  Sr  Sr2  1  0.513  0.952  0.250  1.0
  Sr  Sr3  1  0.013  0.548  0.750  1.0
  Ce  Ce4  1  0.500  0.500  0.500  1.0
  Ce  Ce5  1  0.500  0.500  0.000  1.0
  Ce  Ce6  1  0.000  0.000  0.000  1.0
  Ce  Ce7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.392  0.546  0.250  1.0
  O  O9  1  0.300  0.799  0.558  1.0
  O  O10  1  0.800  0.701  0.442  1.0
  O  O11  1  0.700  0.201  0.442  1.0
  O  O12  1  0.200  0.299  0.942  1.0
  O  O13  1  0.200  0.299  0.558  1.0
  O  O14  1  0.800  0.701  0.058  1.0
  O  O15  1  0.892  0.954  0.750  1.0
  O  O16  1  0.108  0.046  0.250  1.0
  O  O17  1  0.700  0.201  0.058  1.0
  O  O18  1  0.608  0.454  0.750  1.0
  O  O19  1  0.300  0.799  0.942  1.0
[/CIF]
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