The compound described by MgLa4NiO8 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LaO5 square pyramids. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ni(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(2) and three equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing OLa5 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent La(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_La4MgNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   8.749
_cell_length_c   8.749
_cell_angle_alpha   35.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.678
_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  0.000  0.177  0.177  1.0
  La  La1  1  0.000  0.823  0.823  1.0
  La  La2  1  0.500  0.403  0.403  1.0
  La  La3  1  0.500  0.597  0.597  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.000  0.308  0.308  1.0
  O  O7  1  0.000  0.692  0.692  1.0
  O  O8  1  0.252  0.267  0.733  1.0
  O  O9  1  0.252  0.733  0.267  1.0
  O  O10  1  0.500  0.846  0.846  1.0
  O  O11  1  0.500  0.154  0.154  1.0
  O  O12  1  0.748  0.733  0.267  1.0
  O  O13  1  0.748  0.267  0.733  1.0
[/CIF]
.
The compound described by MgLa4NiO8 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LaO5 square pyramids. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ni(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(2) and three equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing OLa5 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent La(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_La4MgNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   8.749
_cell_length_c   8.749
_cell_angle_alpha   35.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.678
_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  0.000  0.177  0.177  1.0
  La  La1  1  0.000  0.823  0.823  1.0
  La  La2  1  0.500  0.403  0.403  1.0
  La  La3  1  0.500  0.597  0.597  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.000  0.308  0.308  1.0
  O  O7  1  0.000  0.692  0.692  1.0
  O  O8  1  0.252  0.267  0.733  1.0
  O  O9  1  0.252  0.733  0.267  1.0
  O  O10  1  0.500  0.846  0.846  1.0
  O  O11  1  0.500  0.154  0.154  1.0
  O  O12  1  0.748  0.733  0.267  1.0
  O  O13  1  0.748  0.267  0.733  1.0
[/CIF]
.