The material described by MgLa2(NiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share faces with two equivalent Ni(1)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to one Mg(1), one La(1), one La(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLa2MgNi2 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ni(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one La(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLa2MgNi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_La2Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.569
_cell_length_b   5.820
_cell_length_c   5.532
_cell_angle_alpha   68.874
_cell_angle_beta   65.372
_cell_angle_gamma   49.432
_symmetry_Int_Tables_number   1
_cell_volume   144.800
_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  0.700  0.682  0.759  1.0
  La  La1  1  0.319  0.277  0.231  1.0
  Mg  Mg2  1  0.000  0.995  0.501  1.0
  Ni  Ni3  1  0.501  0.500  0.487  1.0
  Ni  Ni4  1  0.007  0.994  0.000  1.0
  O  O5  1  0.306  0.841  0.152  1.0
  O  O6  1  0.728  0.083  0.344  1.0
  O  O7  1  0.151  0.525  0.621  1.0
  O  O8  1  0.704  0.167  0.843  1.0
  O  O9  1  0.855  0.468  0.359  1.0
  O  O10  1  0.278  0.905  0.653  1.0
[/CIF]
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The material described by MgLa2(NiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share faces with two equivalent Ni(1)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to one Mg(1), one La(1), one La(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLa2MgNi2 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ni(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one La(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLa2MgNi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_La2Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.569
_cell_length_b   5.820
_cell_length_c   5.532
_cell_angle_alpha   68.874
_cell_angle_beta   65.372
_cell_angle_gamma   49.432
_symmetry_Int_Tables_number   1
_cell_volume   144.800
_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  0.700  0.682  0.759  1.0
  La  La1  1  0.319  0.277  0.231  1.0
  Mg  Mg2  1  0.000  0.995  0.501  1.0
  Ni  Ni3  1  0.501  0.500  0.487  1.0
  Ni  Ni4  1  0.007  0.994  0.000  1.0
  O  O5  1  0.306  0.841  0.152  1.0
  O  O6  1  0.728  0.083  0.344  1.0
  O  O7  1  0.151  0.525  0.621  1.0
  O  O8  1  0.704  0.167  0.843  1.0
  O  O9  1  0.855  0.468  0.359  1.0
  O  O10  1  0.278  0.905  0.653  1.0
[/CIF]
.