The crystal structure described by MgLa4Cr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the third Cr site, Cr(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one La(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Cr(2), and one Cr(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Cr(1), and one Cr(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4MgCr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.568
_cell_length_c   7.914
_cell_angle_alpha   89.755
_cell_angle_beta   89.790
_cell_angle_gamma   90.125
_symmetry_Int_Tables_number   1
_cell_volume   245.101
_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
  Cr  Cr0  1  1.000  0.500  0.500  1.0
  Cr  Cr1  1  0.500  1.000  0.000  1.0
  Cr  Cr2  1  0.500  0.000  0.500  1.0
  La  La3  1  0.467  0.511  0.251  1.0
  La  La4  1  0.533  0.489  0.749  1.0
  La  La5  1  0.971  0.999  0.251  1.0
  La  La6  1  0.029  0.001  0.749  1.0
  Mg  Mg7  1  1.000  0.500  1.000  1.0
  O  O8  1  0.018  0.423  0.253  1.0
  O  O9  1  0.982  0.577  0.747  1.0
  O  O10  1  0.516  0.083  0.248  1.0
  O  O11  1  0.484  0.917  0.752  1.0
  O  O12  1  0.229  0.792  0.041  1.0
  O  O13  1  0.771  0.208  0.959  1.0
  O  O14  1  0.714  0.716  0.456  1.0
  O  O15  1  0.286  0.284  0.544  1.0
  O  O16  1  0.784  0.213  0.543  1.0
  O  O17  1  0.216  0.787  0.457  1.0
  O  O18  1  0.290  0.266  0.958  1.0
  O  O19  1  0.710  0.734  0.042  1.0
[/CIF]
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The crystal structure described by MgLa4Cr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the third Cr site, Cr(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one La(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Cr(2), and one Cr(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Cr(1), and one Cr(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4MgCr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.568
_cell_length_c   7.914
_cell_angle_alpha   89.755
_cell_angle_beta   89.790
_cell_angle_gamma   90.125
_symmetry_Int_Tables_number   1
_cell_volume   245.101
_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
  Cr  Cr0  1  1.000  0.500  0.500  1.0
  Cr  Cr1  1  0.500  1.000  0.000  1.0
  Cr  Cr2  1  0.500  0.000  0.500  1.0
  La  La3  1  0.467  0.511  0.251  1.0
  La  La4  1  0.533  0.489  0.749  1.0
  La  La5  1  0.971  0.999  0.251  1.0
  La  La6  1  0.029  0.001  0.749  1.0
  Mg  Mg7  1  1.000  0.500  1.000  1.0
  O  O8  1  0.018  0.423  0.253  1.0
  O  O9  1  0.982  0.577  0.747  1.0
  O  O10  1  0.516  0.083  0.248  1.0
  O  O11  1  0.484  0.917  0.752  1.0
  O  O12  1  0.229  0.792  0.041  1.0
  O  O13  1  0.771  0.208  0.959  1.0
  O  O14  1  0.714  0.716  0.456  1.0
  O  O15  1  0.286  0.284  0.544  1.0
  O  O16  1  0.784  0.213  0.543  1.0
  O  O17  1  0.216  0.787  0.457  1.0
  O  O18  1  0.290  0.266  0.958  1.0
  O  O19  1  0.710  0.734  0.042  1.0
[/CIF]
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