The compound described by SrCeScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Sc(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Ce(1), and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Ce(1), and one Sc(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Ce(1), and one Sc(1) atom. is represented by the CIF file [CIF]
data_SrCeScO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   5.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.539
_symmetry_Int_Tables_number   1
_cell_volume   208.687
_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
  Sr  Sr0  1  0.896  0.104  0.485  1.0
  Sr  Sr1  1  0.104  0.896  0.985  1.0
  Ce  Ce2  1  0.607  0.393  0.516  1.0
  Ce  Ce3  1  0.393  0.607  0.016  1.0
  Sc  Sc4  1  0.245  0.755  0.505  1.0
  Sc  Sc5  1  0.755  0.245  0.005  1.0
  O  O6  1  0.972  0.517  0.258  1.0
  O  O7  1  0.028  0.483  0.758  1.0
  O  O8  1  0.517  0.972  0.758  1.0
  O  O9  1  0.483  0.028  0.258  1.0
  O  O10  1  0.916  0.084  0.065  1.0
  O  O11  1  0.566  0.434  0.912  1.0
  O  O12  1  0.084  0.916  0.565  1.0
  O  O13  1  0.434  0.566  0.412  1.0
[/CIF]
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The compound described by SrCeScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Sc(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Ce(1), and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Ce(1), and one Sc(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Ce(1), and one Sc(1) atom. is represented by the CIF file [CIF]
data_SrCeScO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   5.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.539
_symmetry_Int_Tables_number   1
_cell_volume   208.687
_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
  Sr  Sr0  1  0.896  0.104  0.485  1.0
  Sr  Sr1  1  0.104  0.896  0.985  1.0
  Ce  Ce2  1  0.607  0.393  0.516  1.0
  Ce  Ce3  1  0.393  0.607  0.016  1.0
  Sc  Sc4  1  0.245  0.755  0.505  1.0
  Sc  Sc5  1  0.755  0.245  0.005  1.0
  O  O6  1  0.972  0.517  0.258  1.0
  O  O7  1  0.028  0.483  0.758  1.0
  O  O8  1  0.517  0.972  0.758  1.0
  O  O9  1  0.483  0.028  0.258  1.0
  O  O10  1  0.916  0.084  0.065  1.0
  O  O11  1  0.566  0.434  0.912  1.0
  O  O12  1  0.084  0.916  0.565  1.0
  O  O13  1  0.434  0.566  0.412  1.0
[/CIF]
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