The crystal structure described by Sm2AlO3N is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to four equivalent N(1), one O(2), and four equivalent O(1) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one N(1), four equivalent O(1), and four equivalent O(2) atoms. Al(1) is bonded to one N(1), one O(2), and four equivalent O(1) atoms to form corner-sharing AlNO5 octahedra. The corner-sharing octahedral tilt angles are 11°. N(1) is bonded to one Sm(2), four equivalent Sm(1), and one Al(1) atom to form distorted NSm5Al octahedra that share  a cornercorner with one O(2)Sm5Al octahedra, corners with four equivalent N(1)Sm5Al octahedra, corners with twelve equivalent O(1)Sm4Al2 octahedra, edges with four equivalent N(1)Sm5Al octahedra, edges with four equivalent O(2)Sm5Al octahedra, and faces with four equivalent O(1)Sm4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Al(1) atoms to form distorted OSm4Al2 octahedra that share corners with two equivalent O(1)Sm4Al2 octahedra, corners with six equivalent N(1)Sm5Al octahedra, corners with six equivalent O(2)Sm5Al octahedra, edges with two equivalent O(1)Sm4Al2 octahedra, faces with two equivalent N(1)Sm5Al octahedra, faces with two equivalent O(2)Sm5Al octahedra, and faces with four equivalent O(1)Sm4Al2 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. In the second O site, O(2) is bonded to one Sm(1), four equivalent Sm(2), and one Al(1) atom to form OSm5Al octahedra that share  a cornercorner with one N(1)Sm5Al octahedra, corners with four equivalent O(2)Sm5Al octahedra, corners with twelve equivalent O(1)Sm4Al2 octahedra, edges with four equivalent N(1)Sm5Al octahedra, edges with four equivalent O(2)Sm5Al octahedra, and faces with four equivalent O(1)Sm4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Sm2AlNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.743
_cell_length_b   6.743
_cell_length_c   6.743
_cell_angle_alpha   148.190
_cell_angle_beta   148.190
_cell_angle_gamma   45.605
_symmetry_Int_Tables_number   1
_cell_volume   84.892
_cell_formula_units_Z   1
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  0.518  0.518  0.000  1.0
  Sm  Sm1  1  0.808  0.808  0.000  1.0
  Al  Al2  1  0.157  0.157  0.000  1.0
  N  N3  1  0.996  0.996  0.000  1.0
  O  O4  1  0.671  0.171  0.500  1.0
  O  O5  1  0.171  0.671  0.500  1.0
  O  O6  1  0.332  0.332  0.000  1.0
[/CIF]
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The crystal structure described by Sm2AlO3N is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to four equivalent N(1), one O(2), and four equivalent O(1) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one N(1), four equivalent O(1), and four equivalent O(2) atoms. Al(1) is bonded to one N(1), one O(2), and four equivalent O(1) atoms to form corner-sharing AlNO5 octahedra. The corner-sharing octahedral tilt angles are 11°. N(1) is bonded to one Sm(2), four equivalent Sm(1), and one Al(1) atom to form distorted NSm5Al octahedra that share  a cornercorner with one O(2)Sm5Al octahedra, corners with four equivalent N(1)Sm5Al octahedra, corners with twelve equivalent O(1)Sm4Al2 octahedra, edges with four equivalent N(1)Sm5Al octahedra, edges with four equivalent O(2)Sm5Al octahedra, and faces with four equivalent O(1)Sm4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Al(1) atoms to form distorted OSm4Al2 octahedra that share corners with two equivalent O(1)Sm4Al2 octahedra, corners with six equivalent N(1)Sm5Al octahedra, corners with six equivalent O(2)Sm5Al octahedra, edges with two equivalent O(1)Sm4Al2 octahedra, faces with two equivalent N(1)Sm5Al octahedra, faces with two equivalent O(2)Sm5Al octahedra, and faces with four equivalent O(1)Sm4Al2 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. In the second O site, O(2) is bonded to one Sm(1), four equivalent Sm(2), and one Al(1) atom to form OSm5Al octahedra that share  a cornercorner with one N(1)Sm5Al octahedra, corners with four equivalent O(2)Sm5Al octahedra, corners with twelve equivalent O(1)Sm4Al2 octahedra, edges with four equivalent N(1)Sm5Al octahedra, edges with four equivalent O(2)Sm5Al octahedra, and faces with four equivalent O(1)Sm4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Sm2AlNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.743
_cell_length_b   6.743
_cell_length_c   6.743
_cell_angle_alpha   148.190
_cell_angle_beta   148.190
_cell_angle_gamma   45.605
_symmetry_Int_Tables_number   1
_cell_volume   84.892
_cell_formula_units_Z   1
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  0.518  0.518  0.000  1.0
  Sm  Sm1  1  0.808  0.808  0.000  1.0
  Al  Al2  1  0.157  0.157  0.000  1.0
  N  N3  1  0.996  0.996  0.000  1.0
  O  O4  1  0.671  0.171  0.500  1.0
  O  O5  1  0.171  0.671  0.500  1.0
  O  O6  1  0.332  0.332  0.000  1.0
[/CIF]
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