The material described by MgLa2Fe2(MoO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MoO6 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 22-35°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form MoO6 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 23-36°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(2), one Mo(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Mo(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Mo(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one La(1), one Mo(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded to one Mg(1), one La(2), one Mo(1), and one Fe(1) atom to form distorted edge-sharing OLaMgFeMo tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one La(2), one Mo(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one La(2), one Mo(2), and one Fe(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one La(1), one Mo(1), and one Fe(2) atom to form distorted edge-sharing OLaMgFeMo tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Mo(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one La(1), one Mo(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_La2MgFe2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   5.478
_cell_length_c   7.911
_cell_angle_alpha   90.311
_cell_angle_beta   90.266
_cell_angle_gamma   91.931
_symmetry_Int_Tables_number   1
_cell_volume   241.294
_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
  La  La0  1  0.040  0.005  0.248  1.0
  La  La1  1  0.448  0.486  0.751  1.0
  Mg  Mg2  1  0.960  0.986  0.745  1.0
  Fe  Fe3  1  0.504  0.994  0.002  1.0
  Fe  Fe4  1  0.987  0.500  0.499  1.0
  Mo  Mo5  1  0.508  0.992  0.496  1.0
  Mo  Mo6  1  0.991  0.504  0.003  1.0
  O  O7  1  0.015  0.609  0.750  1.0
  O  O8  1  0.191  0.187  0.940  1.0
  O  O9  1  0.193  0.194  0.558  1.0
  O  O10  1  0.286  0.692  0.026  1.0
  O  O11  1  0.303  0.713  0.478  1.0
  O  O12  1  0.475  0.062  0.249  1.0
  O  O13  1  0.560  0.920  0.751  1.0
  O  O14  1  0.699  0.290  0.546  1.0
  O  O15  1  0.717  0.296  0.953  1.0
  O  O16  1  0.815  0.816  0.470  1.0
  O  O17  1  0.805  0.804  0.035  1.0
  O  O18  1  0.990  0.430  0.252  1.0
[/CIF]
.
The material described by MgLa2Fe2(MoO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MoO6 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 22-35°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form MoO6 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 23-36°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(2), one Mo(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Mo(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Mo(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one La(1), one Mo(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded to one Mg(1), one La(2), one Mo(1), and one Fe(1) atom to form distorted edge-sharing OLaMgFeMo tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one La(2), one Mo(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one La(2), one Mo(2), and one Fe(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one La(1), one Mo(1), and one Fe(2) atom to form distorted edge-sharing OLaMgFeMo tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Mo(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one La(1), one Mo(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_La2MgFe2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   5.478
_cell_length_c   7.911
_cell_angle_alpha   90.311
_cell_angle_beta   90.266
_cell_angle_gamma   91.931
_symmetry_Int_Tables_number   1
_cell_volume   241.294
_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
  La  La0  1  0.040  0.005  0.248  1.0
  La  La1  1  0.448  0.486  0.751  1.0
  Mg  Mg2  1  0.960  0.986  0.745  1.0
  Fe  Fe3  1  0.504  0.994  0.002  1.0
  Fe  Fe4  1  0.987  0.500  0.499  1.0
  Mo  Mo5  1  0.508  0.992  0.496  1.0
  Mo  Mo6  1  0.991  0.504  0.003  1.0
  O  O7  1  0.015  0.609  0.750  1.0
  O  O8  1  0.191  0.187  0.940  1.0
  O  O9  1  0.193  0.194  0.558  1.0
  O  O10  1  0.286  0.692  0.026  1.0
  O  O11  1  0.303  0.713  0.478  1.0
  O  O12  1  0.475  0.062  0.249  1.0
  O  O13  1  0.560  0.920  0.751  1.0
  O  O14  1  0.699  0.290  0.546  1.0
  O  O15  1  0.717  0.296  0.953  1.0
  O  O16  1  0.815  0.816  0.470  1.0
  O  O17  1  0.805  0.804  0.035  1.0
  O  O18  1  0.990  0.430  0.252  1.0
[/CIF]
.