The material structure described by LiFeSbO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OLiFeSb2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_LiFeSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   6.257
_cell_length_c   6.234
_cell_angle_alpha   60.132
_cell_angle_beta   89.989
_cell_angle_gamma   119.129
_symmetry_Int_Tables_number   1
_cell_volume   170.565
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.353  0.206  0.897  1.0
  Li  Li3  1  0.647  0.794  0.103  1.0
  O  O4  1  0.776  0.502  0.749  1.0
  O  O5  1  0.226  0.502  0.749  1.0
  O  O6  1  0.774  0.498  0.251  1.0
  O  O7  1  0.224  0.498  0.251  1.0
  O  O8  1  0.220  0.940  0.765  1.0
  O  O9  1  0.220  0.940  0.295  1.0
  O  O10  1  0.780  0.060  0.235  1.0
  O  O11  1  0.780  0.060  0.705  1.0
  Sb  Sb12  1  1.000  0.500  0.000  1.0
  Sb  Sb13  1  1.000  0.500  0.500  1.0
[/CIF]
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The material structure described by LiFeSbO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OLiFeSb2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_LiFeSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   6.257
_cell_length_c   6.234
_cell_angle_alpha   60.132
_cell_angle_beta   89.989
_cell_angle_gamma   119.129
_symmetry_Int_Tables_number   1
_cell_volume   170.565
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.353  0.206  0.897  1.0
  Li  Li3  1  0.647  0.794  0.103  1.0
  O  O4  1  0.776  0.502  0.749  1.0
  O  O5  1  0.226  0.502  0.749  1.0
  O  O6  1  0.774  0.498  0.251  1.0
  O  O7  1  0.224  0.498  0.251  1.0
  O  O8  1  0.220  0.940  0.765  1.0
  O  O9  1  0.220  0.940  0.295  1.0
  O  O10  1  0.780  0.060  0.235  1.0
  O  O11  1  0.780  0.060  0.705  1.0
  Sb  Sb12  1  1.000  0.500  0.000  1.0
  Sb  Sb13  1  1.000  0.500  0.500  1.0
[/CIF]
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