The compound described by MgLa2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_La2MgFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   5.531
_cell_length_c   5.574
_cell_angle_alpha   118.647
_cell_angle_beta   90.123
_cell_angle_gamma   118.868
_symmetry_Int_Tables_number   1
_cell_volume   123.365
_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
  Fe  Fe0  1  1.000  0.000  0.000  1.0
  La  La1  1  0.745  0.492  0.242  1.0
  La  La2  1  0.255  0.508  0.758  1.0
  Mg  Mg3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.180  0.898  0.198  1.0
  O  O5  1  0.299  0.086  0.819  1.0
  O  O6  1  0.743  0.498  0.664  1.0
  O  O7  1  0.820  0.102  0.802  1.0
  O  O8  1  0.257  0.502  0.336  1.0
  O  O9  1  0.701  0.914  0.181  1.0
[/CIF]
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The compound described by MgLa2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_La2MgFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   5.531
_cell_length_c   5.574
_cell_angle_alpha   118.647
_cell_angle_beta   90.123
_cell_angle_gamma   118.868
_symmetry_Int_Tables_number   1
_cell_volume   123.365
_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
  Fe  Fe0  1  1.000  0.000  0.000  1.0
  La  La1  1  0.745  0.492  0.242  1.0
  La  La2  1  0.255  0.508  0.758  1.0
  Mg  Mg3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.180  0.898  0.198  1.0
  O  O5  1  0.299  0.086  0.819  1.0
  O  O6  1  0.743  0.498  0.664  1.0
  O  O7  1  0.820  0.102  0.802  1.0
  O  O8  1  0.257  0.502  0.336  1.0
  O  O9  1  0.701  0.914  0.181  1.0
[/CIF]
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