The compound described by MgLa4MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing OLa4MgMn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent La(2), and three equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La4MgMnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   6.890
_cell_length_c   5.657
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   114.229
_symmetry_Int_Tables_number   1
_cell_volume   201.006
_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  0.138  0.275  0.500  1.0
  La  La1  1  0.637  0.273  0.000  1.0
  La  La2  1  0.364  0.727  1.000  1.0
  La  La3  1  0.862  0.725  0.500  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  1.000  1.000  1.0
  O  O6  1  0.255  1.000  0.256  1.0
  O  O7  1  0.255  0.000  0.744  1.0
  O  O8  1  0.745  1.000  0.256  1.0
  O  O9  1  0.745  0.000  0.744  1.0
  O  O10  1  0.183  0.367  0.000  1.0
  O  O11  1  0.681  0.362  0.500  1.0
  O  O12  1  0.319  0.638  0.500  1.0
  O  O13  1  0.817  0.633  1.000  1.0
[/CIF]
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The compound described by MgLa4MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing OLa4MgMn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent La(2), and three equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La4MgMnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   6.890
_cell_length_c   5.657
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   114.229
_symmetry_Int_Tables_number   1
_cell_volume   201.006
_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  0.138  0.275  0.500  1.0
  La  La1  1  0.637  0.273  0.000  1.0
  La  La2  1  0.364  0.727  1.000  1.0
  La  La3  1  0.862  0.725  0.500  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  1.000  1.000  1.0
  O  O6  1  0.255  1.000  0.256  1.0
  O  O7  1  0.255  0.000  0.744  1.0
  O  O8  1  0.745  1.000  0.256  1.0
  O  O9  1  0.745  0.000  0.744  1.0
  O  O10  1  0.183  0.367  0.000  1.0
  O  O11  1  0.681  0.362  0.500  1.0
  O  O12  1  0.319  0.638  0.500  1.0
  O  O13  1  0.817  0.633  1.000  1.0
[/CIF]
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