The compound described by SmAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sm(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Sm(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_SmAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.281
_cell_length_c   7.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.418
_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  0.028  0.993  0.250  1.0
  Sm  Sm1  1  0.528  0.507  0.250  1.0
  Sm  Sm2  1  0.472  0.493  0.750  1.0
  Sm  Sm3  1  0.972  0.007  0.750  1.0
  Al  Al4  1  0.500  0.000  0.500  1.0
  Al  Al5  1  0.000  0.500  0.000  1.0
  Al  Al6  1  0.000  0.500  0.500  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.723  0.276  0.535  1.0
  O  O9  1  0.223  0.224  0.965  1.0
  O  O10  1  0.777  0.776  0.465  1.0
  O  O11  1  0.277  0.724  0.035  1.0
  O  O12  1  0.277  0.724  0.465  1.0
  O  O13  1  0.777  0.776  0.035  1.0
  O  O14  1  0.223  0.224  0.535  1.0
  O  O15  1  0.723  0.276  0.965  1.0
  O  O16  1  0.510  0.934  0.750  1.0
  O  O17  1  0.010  0.566  0.750  1.0
  O  O18  1  0.990  0.434  0.250  1.0
  O  O19  1  0.490  0.066  0.250  1.0
[/CIF]
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The compound described by SmAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sm(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Sm(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_SmAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.281
_cell_length_c   7.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.418
_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  0.028  0.993  0.250  1.0
  Sm  Sm1  1  0.528  0.507  0.250  1.0
  Sm  Sm2  1  0.472  0.493  0.750  1.0
  Sm  Sm3  1  0.972  0.007  0.750  1.0
  Al  Al4  1  0.500  0.000  0.500  1.0
  Al  Al5  1  0.000  0.500  0.000  1.0
  Al  Al6  1  0.000  0.500  0.500  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.723  0.276  0.535  1.0
  O  O9  1  0.223  0.224  0.965  1.0
  O  O10  1  0.777  0.776  0.465  1.0
  O  O11  1  0.277  0.724  0.035  1.0
  O  O12  1  0.277  0.724  0.465  1.0
  O  O13  1  0.777  0.776  0.035  1.0
  O  O14  1  0.223  0.224  0.535  1.0
  O  O15  1  0.723  0.276  0.965  1.0
  O  O16  1  0.510  0.934  0.750  1.0
  O  O17  1  0.010  0.566  0.750  1.0
  O  O18  1  0.990  0.434  0.250  1.0
  O  O19  1  0.490  0.066  0.250  1.0
[/CIF]
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