The material described by LiSmO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing LiO4 trigonal pyramids. Sm(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Sm(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Sm(1) atoms to form a mixture of distorted edge, face, and corner-sharing OLi2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. is represented by the CIF card [CIF]
data_LiSmO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.672
_cell_length_c   5.685
_cell_angle_alpha   77.332
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.642
_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
  Li  Li0  1  0.361  0.677  0.337  1.0
  Li  Li1  1  0.639  0.323  0.663  1.0
  Li  Li2  1  0.139  0.177  0.337  1.0
  Li  Li3  1  0.861  0.823  0.663  1.0
  Sm  Sm4  1  0.570  0.196  0.202  1.0
  Sm  Sm5  1  0.070  0.304  0.798  1.0
  Sm  Sm6  1  0.430  0.804  0.798  1.0
  Sm  Sm7  1  0.930  0.696  0.202  1.0
  O  O8  1  0.867  0.295  0.428  1.0
  O  O9  1  0.633  0.795  0.428  1.0
  O  O10  1  0.367  0.205  0.572  1.0
  O  O11  1  0.133  0.705  0.572  1.0
  O  O12  1  0.739  0.517  0.914  1.0
  O  O13  1  0.239  0.983  0.086  1.0
  O  O14  1  0.261  0.483  0.086  1.0
  O  O15  1  0.761  0.017  0.914  1.0
[/CIF]
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The material described by LiSmO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing LiO4 trigonal pyramids. Sm(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Sm(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Sm(1) atoms to form a mixture of distorted edge, face, and corner-sharing OLi2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. is represented by the CIF card [CIF]
data_LiSmO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.672
_cell_length_c   5.685
_cell_angle_alpha   77.332
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.642
_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
  Li  Li0  1  0.361  0.677  0.337  1.0
  Li  Li1  1  0.639  0.323  0.663  1.0
  Li  Li2  1  0.139  0.177  0.337  1.0
  Li  Li3  1  0.861  0.823  0.663  1.0
  Sm  Sm4  1  0.570  0.196  0.202  1.0
  Sm  Sm5  1  0.070  0.304  0.798  1.0
  Sm  Sm6  1  0.430  0.804  0.798  1.0
  Sm  Sm7  1  0.930  0.696  0.202  1.0
  O  O8  1  0.867  0.295  0.428  1.0
  O  O9  1  0.633  0.795  0.428  1.0
  O  O10  1  0.367  0.205  0.572  1.0
  O  O11  1  0.133  0.705  0.572  1.0
  O  O12  1  0.739  0.517  0.914  1.0
  O  O13  1  0.239  0.983  0.086  1.0
  O  O14  1  0.261  0.483  0.086  1.0
  O  O15  1  0.761  0.017  0.914  1.0
[/CIF]
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