The crystal structure described by SmCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sm(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_SmCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.547
_cell_length_c   7.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.253
_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
  Sm  Sm0  1  0.514  0.558  0.250  1.0
  Sm  Sm1  1  0.986  0.058  0.250  1.0
  Sm  Sm2  1  0.486  0.442  0.750  1.0
  Sm  Sm3  1  0.014  0.942  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.407  0.974  0.250  1.0
  O  O9  1  0.093  0.474  0.250  1.0
  O  O10  1  0.593  0.026  0.750  1.0
  O  O11  1  0.907  0.526  0.750  1.0
  O  O12  1  0.799  0.796  0.049  1.0
  O  O13  1  0.701  0.296  0.451  1.0
  O  O14  1  0.201  0.204  0.549  1.0
  O  O15  1  0.299  0.704  0.951  1.0
  O  O16  1  0.201  0.204  0.951  1.0
  O  O17  1  0.299  0.704  0.549  1.0
  O  O18  1  0.799  0.796  0.451  1.0
  O  O19  1  0.701  0.296  0.049  1.0
[/CIF]
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The crystal structure described by SmCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sm(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_SmCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.547
_cell_length_c   7.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.253
_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
  Sm  Sm0  1  0.514  0.558  0.250  1.0
  Sm  Sm1  1  0.986  0.058  0.250  1.0
  Sm  Sm2  1  0.486  0.442  0.750  1.0
  Sm  Sm3  1  0.014  0.942  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.407  0.974  0.250  1.0
  O  O9  1  0.093  0.474  0.250  1.0
  O  O10  1  0.593  0.026  0.750  1.0
  O  O11  1  0.907  0.526  0.750  1.0
  O  O12  1  0.799  0.796  0.049  1.0
  O  O13  1  0.701  0.296  0.451  1.0
  O  O14  1  0.201  0.204  0.549  1.0
  O  O15  1  0.299  0.704  0.951  1.0
  O  O16  1  0.201  0.204  0.951  1.0
  O  O17  1  0.299  0.704  0.549  1.0
  O  O18  1  0.799  0.796  0.451  1.0
  O  O19  1  0.701  0.296  0.049  1.0
[/CIF]
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