The material described by Li2Fe2SbO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 23-71°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids and edges with six equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OLi2Fe2Sb trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one Sb(1) atom. is represented by the CIF file [CIF]
data_Li2Fe2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.298
_cell_length_c   10.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.264
_symmetry_Int_Tables_number   1
_cell_volume   250.504
_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
  Li  Li0  1  0.635  0.135  0.750  1.0
  Li  Li1  1  0.865  0.365  0.250  1.0
  Li  Li2  1  0.135  0.635  0.750  1.0
  Li  Li3  1  0.365  0.865  0.250  1.0
  Fe  Fe4  1  0.843  0.157  0.500  1.0
  Fe  Fe5  1  0.657  0.343  0.000  1.0
  Fe  Fe6  1  0.343  0.657  0.000  1.0
  Fe  Fe7  1  0.157  0.843  0.500  1.0
  Sb  Sb8  1  0.000  0.000  0.000  1.0
  Sb  Sb9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.680  0.012  0.108  1.0
  O  O11  1  0.320  0.988  0.892  1.0
  O  O12  1  0.512  0.180  0.392  1.0
  O  O13  1  0.820  0.488  0.608  1.0
  O  O14  1  0.186  0.186  0.604  1.0
  O  O15  1  0.314  0.314  0.104  1.0
  O  O16  1  0.686  0.686  0.896  1.0
  O  O17  1  0.988  0.320  0.892  1.0
  O  O18  1  0.814  0.814  0.396  1.0
  O  O19  1  0.180  0.512  0.392  1.0
  O  O20  1  0.488  0.820  0.608  1.0
  O  O21  1  0.012  0.680  0.108  1.0
[/CIF]
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The material described by Li2Fe2SbO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 23-71°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids and edges with six equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OLi2Fe2Sb trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one Sb(1) atom. is represented by the CIF file [CIF]
data_Li2Fe2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.298
_cell_length_c   10.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.264
_symmetry_Int_Tables_number   1
_cell_volume   250.504
_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
  Li  Li0  1  0.635  0.135  0.750  1.0
  Li  Li1  1  0.865  0.365  0.250  1.0
  Li  Li2  1  0.135  0.635  0.750  1.0
  Li  Li3  1  0.365  0.865  0.250  1.0
  Fe  Fe4  1  0.843  0.157  0.500  1.0
  Fe  Fe5  1  0.657  0.343  0.000  1.0
  Fe  Fe6  1  0.343  0.657  0.000  1.0
  Fe  Fe7  1  0.157  0.843  0.500  1.0
  Sb  Sb8  1  0.000  0.000  0.000  1.0
  Sb  Sb9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.680  0.012  0.108  1.0
  O  O11  1  0.320  0.988  0.892  1.0
  O  O12  1  0.512  0.180  0.392  1.0
  O  O13  1  0.820  0.488  0.608  1.0
  O  O14  1  0.186  0.186  0.604  1.0
  O  O15  1  0.314  0.314  0.104  1.0
  O  O16  1  0.686  0.686  0.896  1.0
  O  O17  1  0.988  0.320  0.892  1.0
  O  O18  1  0.814  0.814  0.396  1.0
  O  O19  1  0.180  0.512  0.392  1.0
  O  O20  1  0.488  0.820  0.608  1.0
  O  O21  1  0.012  0.680  0.108  1.0
[/CIF]
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