The material structure described by MgLa2(NiO3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent O(2) atoms. In the second Ni site, Ni(2) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one La(1), one La(2), and one Ni(2) atom to form distorted OLa2MgNi trigonal pyramids that share corners with four equivalent O(1)La2MgNi trigonal pyramids, corners with seven equivalent O(2)La2Ni2 trigonal pyramids,  an edgeedge with one O(2)La2Ni2 trigonal pyramid, and edges with two equivalent O(1)La2MgNi trigonal pyramids. In the second O site, O(2) is bonded to one La(1), one La(2), one Ni(1), and one Ni(2) atom to form distorted OLa2Ni2 trigonal pyramids that share corners with four equivalent O(2)La2Ni2 trigonal pyramids, corners with seven equivalent O(1)La2MgNi trigonal pyramids,  an edgeedge with one O(1)La2MgNi trigonal pyramid, and edges with two equivalent O(2)La2Ni2 trigonal pyramids. is represented by the CIF card [CIF]
data_La2Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.257
_cell_length_b   6.255
_cell_length_c   6.258
_cell_angle_alpha   55.302
_cell_angle_beta   55.308
_cell_angle_gamma   55.324
_symmetry_Int_Tables_number   1
_cell_volume   154.305
_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  0.782  0.781  0.781  1.0
  La  La1  1  0.191  0.190  0.190  1.0
  Mg  Mg2  1  0.418  0.417  0.417  1.0
  Ni  Ni3  1  0.588  0.587  0.586  1.0
  Ni  Ni4  1  0.989  0.988  0.989  1.0
  O  O5  1  0.338  0.766  0.113  1.0
  O  O6  1  0.767  0.113  0.337  1.0
  O  O7  1  0.114  0.337  0.766  1.0
  O  O8  1  0.638  0.217  0.842  1.0
  O  O9  1  0.844  0.637  0.217  1.0
  O  O10  1  0.218  0.843  0.637  1.0
[/CIF]
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The material structure described by MgLa2(NiO3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent O(2) atoms. In the second Ni site, Ni(2) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one La(1), one La(2), and one Ni(2) atom to form distorted OLa2MgNi trigonal pyramids that share corners with four equivalent O(1)La2MgNi trigonal pyramids, corners with seven equivalent O(2)La2Ni2 trigonal pyramids,  an edgeedge with one O(2)La2Ni2 trigonal pyramid, and edges with two equivalent O(1)La2MgNi trigonal pyramids. In the second O site, O(2) is bonded to one La(1), one La(2), one Ni(1), and one Ni(2) atom to form distorted OLa2Ni2 trigonal pyramids that share corners with four equivalent O(2)La2Ni2 trigonal pyramids, corners with seven equivalent O(1)La2MgNi trigonal pyramids,  an edgeedge with one O(1)La2MgNi trigonal pyramid, and edges with two equivalent O(2)La2Ni2 trigonal pyramids. is represented by the CIF card [CIF]
data_La2Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.257
_cell_length_b   6.255
_cell_length_c   6.258
_cell_angle_alpha   55.302
_cell_angle_beta   55.308
_cell_angle_gamma   55.324
_symmetry_Int_Tables_number   1
_cell_volume   154.305
_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  0.782  0.781  0.781  1.0
  La  La1  1  0.191  0.190  0.190  1.0
  Mg  Mg2  1  0.418  0.417  0.417  1.0
  Ni  Ni3  1  0.588  0.587  0.586  1.0
  Ni  Ni4  1  0.989  0.988  0.989  1.0
  O  O5  1  0.338  0.766  0.113  1.0
  O  O6  1  0.767  0.113  0.337  1.0
  O  O7  1  0.114  0.337  0.766  1.0
  O  O8  1  0.638  0.217  0.842  1.0
  O  O9  1  0.844  0.637  0.217  1.0
  O  O10  1  0.218  0.843  0.637  1.0
[/CIF]
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