The structure described by LiLa(FeO3)4 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 15-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent La(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_LiLa(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   5.259
_cell_length_c   7.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.186
_symmetry_Int_Tables_number   1
_cell_volume   213.994
_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  0.001  0.999  0.000  1.0
  La  La1  1  0.512  0.488  0.500  1.0
  Fe  Fe2  1  0.502  0.002  0.232  1.0
  Fe  Fe3  1  0.502  0.002  0.768  1.0
  Fe  Fe4  1  0.998  0.498  0.768  1.0
  Fe  Fe5  1  0.998  0.498  0.232  1.0
  O  O6  1  0.289  0.292  0.250  1.0
  O  O7  1  0.708  0.711  0.250  1.0
  O  O8  1  0.708  0.711  0.750  1.0
  O  O9  1  0.289  0.292  0.750  1.0
  O  O10  1  0.202  0.798  0.183  1.0
  O  O11  1  0.779  0.221  0.305  1.0
  O  O12  1  0.779  0.221  0.695  1.0
  O  O13  1  0.202  0.798  0.817  1.0
  O  O14  1  0.610  0.060  0.000  1.0
  O  O15  1  0.458  0.973  0.500  1.0
  O  O16  1  0.940  0.390  0.000  1.0
  O  O17  1  0.027  0.542  0.500  1.0
[/CIF]
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The structure described by LiLa(FeO3)4 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 15-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent La(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_LiLa(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   5.259
_cell_length_c   7.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.186
_symmetry_Int_Tables_number   1
_cell_volume   213.994
_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  0.001  0.999  0.000  1.0
  La  La1  1  0.512  0.488  0.500  1.0
  Fe  Fe2  1  0.502  0.002  0.232  1.0
  Fe  Fe3  1  0.502  0.002  0.768  1.0
  Fe  Fe4  1  0.998  0.498  0.768  1.0
  Fe  Fe5  1  0.998  0.498  0.232  1.0
  O  O6  1  0.289  0.292  0.250  1.0
  O  O7  1  0.708  0.711  0.250  1.0
  O  O8  1  0.708  0.711  0.750  1.0
  O  O9  1  0.289  0.292  0.750  1.0
  O  O10  1  0.202  0.798  0.183  1.0
  O  O11  1  0.779  0.221  0.305  1.0
  O  O12  1  0.779  0.221  0.695  1.0
  O  O13  1  0.202  0.798  0.817  1.0
  O  O14  1  0.610  0.060  0.000  1.0
  O  O15  1  0.458  0.973  0.500  1.0
  O  O16  1  0.940  0.390  0.000  1.0
  O  O17  1  0.027  0.542  0.500  1.0
[/CIF]
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