The compound described by NaLa(FeO3)4 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 12-coordinate geometry to two equivalent O(2), 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 10-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one La(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one La(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(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 Crystallographic Information File (CIF) [CIF]
data_NaLa(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.364
_cell_length_c   7.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.200
_symmetry_Int_Tables_number   1
_cell_volume   221.352
_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
  Na  Na0  1  0.994  0.006  0.000  1.0
  La  La1  1  0.508  0.492  0.500  1.0
  Fe  Fe2  1  0.502  0.999  0.238  1.0
  Fe  Fe3  1  0.502  0.999  0.762  1.0
  Fe  Fe4  1  0.001  0.498  0.762  1.0
  Fe  Fe5  1  0.001  0.498  0.238  1.0
  O  O6  1  0.287  0.285  0.253  1.0
  O  O7  1  0.715  0.713  0.253  1.0
  O  O8  1  0.715  0.713  0.747  1.0
  O  O9  1  0.287  0.285  0.747  1.0
  O  O10  1  0.220  0.780  0.224  1.0
  O  O11  1  0.773  0.227  0.294  1.0
  O  O12  1  0.773  0.227  0.706  1.0
  O  O13  1  0.220  0.780  0.776  1.0
  O  O14  1  0.550  0.038  0.000  1.0
  O  O15  1  0.474  0.980  0.500  1.0
  O  O16  1  0.962  0.450  0.000  1.0
  O  O17  1  0.020  0.526  0.500  1.0
[/CIF]
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The compound described by NaLa(FeO3)4 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 12-coordinate geometry to two equivalent O(2), 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 10-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one La(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one La(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(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 Crystallographic Information File (CIF) [CIF]
data_NaLa(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.364
_cell_length_c   7.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.200
_symmetry_Int_Tables_number   1
_cell_volume   221.352
_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
  Na  Na0  1  0.994  0.006  0.000  1.0
  La  La1  1  0.508  0.492  0.500  1.0
  Fe  Fe2  1  0.502  0.999  0.238  1.0
  Fe  Fe3  1  0.502  0.999  0.762  1.0
  Fe  Fe4  1  0.001  0.498  0.762  1.0
  Fe  Fe5  1  0.001  0.498  0.238  1.0
  O  O6  1  0.287  0.285  0.253  1.0
  O  O7  1  0.715  0.713  0.253  1.0
  O  O8  1  0.715  0.713  0.747  1.0
  O  O9  1  0.287  0.285  0.747  1.0
  O  O10  1  0.220  0.780  0.224  1.0
  O  O11  1  0.773  0.227  0.294  1.0
  O  O12  1  0.773  0.227  0.706  1.0
  O  O13  1  0.220  0.780  0.776  1.0
  O  O14  1  0.550  0.038  0.000  1.0
  O  O15  1  0.474  0.980  0.500  1.0
  O  O16  1  0.962  0.450  0.000  1.0
  O  O17  1  0.020  0.526  0.500  1.0
[/CIF]
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