The crystal structure described by SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent La(1) atoms to form distorted corner-sharing OLa2Sm2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and three equivalent La(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaSmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.215
_cell_length_c   8.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.224
_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
  La  La0  1  0.492  0.042  0.483  1.0
  La  La1  1  0.992  0.458  0.983  1.0
  La  La2  1  0.008  0.542  0.483  1.0
  La  La3  1  0.508  0.958  0.983  1.0
  Sm  Sm4  1  1.000  0.006  0.740  1.0
  Sm  Sm5  1  0.500  0.494  0.240  1.0
  Sm  Sm6  1  0.500  0.506  0.740  1.0
  Sm  Sm7  1  0.000  0.994  0.240  1.0
  O  O8  1  0.137  0.076  0.993  1.0
  O  O9  1  0.667  0.162  0.183  1.0
  O  O10  1  0.692  0.202  0.824  1.0
  O  O11  1  0.192  0.298  0.324  1.0
  O  O12  1  0.167  0.338  0.683  1.0
  O  O13  1  0.637  0.424  0.493  1.0
  O  O14  1  0.363  0.576  0.993  1.0
  O  O15  1  0.833  0.662  0.183  1.0
  O  O16  1  0.808  0.702  0.824  1.0
  O  O17  1  0.308  0.798  0.324  1.0
  O  O18  1  0.333  0.838  0.683  1.0
  O  O19  1  0.863  0.924  0.493  1.0
[/CIF]
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The crystal structure described by SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent La(1) atoms to form distorted corner-sharing OLa2Sm2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and three equivalent La(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaSmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.215
_cell_length_c   8.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.224
_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
  La  La0  1  0.492  0.042  0.483  1.0
  La  La1  1  0.992  0.458  0.983  1.0
  La  La2  1  0.008  0.542  0.483  1.0
  La  La3  1  0.508  0.958  0.983  1.0
  Sm  Sm4  1  1.000  0.006  0.740  1.0
  Sm  Sm5  1  0.500  0.494  0.240  1.0
  Sm  Sm6  1  0.500  0.506  0.740  1.0
  Sm  Sm7  1  0.000  0.994  0.240  1.0
  O  O8  1  0.137  0.076  0.993  1.0
  O  O9  1  0.667  0.162  0.183  1.0
  O  O10  1  0.692  0.202  0.824  1.0
  O  O11  1  0.192  0.298  0.324  1.0
  O  O12  1  0.167  0.338  0.683  1.0
  O  O13  1  0.637  0.424  0.493  1.0
  O  O14  1  0.363  0.576  0.993  1.0
  O  O15  1  0.833  0.662  0.183  1.0
  O  O16  1  0.808  0.702  0.824  1.0
  O  O17  1  0.308  0.798  0.324  1.0
  O  O18  1  0.333  0.838  0.683  1.0
  O  O19  1  0.863  0.924  0.493  1.0
[/CIF]
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