The material structure described by LiSmO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra and faces with eight equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sm(1) is bonded to twelve equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with twelve equivalent Sm(1)O12 cuboctahedra, faces with six equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Li(1)O6 octahedra. O(1) is bonded in a distorted linear geometry to two equivalent Li(1) and four equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   3.735
_cell_length_c   3.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   52.097
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Sm  Sm1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by LiSmO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra and faces with eight equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sm(1) is bonded to twelve equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with twelve equivalent Sm(1)O12 cuboctahedra, faces with six equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Li(1)O6 octahedra. O(1) is bonded in a distorted linear geometry to two equivalent Li(1) and four equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   3.735
_cell_length_c   3.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   52.097
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Sm  Sm1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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