The compound described by MgPr2(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(2)O6 octahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 5-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 Pr site, Pr(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 in a square co-planar geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the second Ni site, Ni(2) 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 NiO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. 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 Pr(1), two equivalent Pr(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), one Pr(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted edge and corner-sharing OPr2MgNi2 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(1), one Pr(2), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(1), one Pr(2), two equivalent Pr(1), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Pr(1), one Pr(2), and one Ni(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Pr(1), one Pr(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted edge and corner-sharing OPr2MgNi2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Pr2Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.580
_cell_length_b   5.743
_cell_length_c   5.514
_cell_angle_alpha   68.941
_cell_angle_beta   64.639
_cell_angle_gamma   49.821
_symmetry_Int_Tables_number   1
_cell_volume   142.810
_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
  Pr  Pr0  1  0.818  0.788  0.739  1.0
  Pr  Pr1  1  0.196  0.181  0.253  1.0
  Mg  Mg2  1  0.502  0.493  0.999  1.0
  Ni  Ni3  1  0.506  0.493  0.498  1.0
  Ni  Ni4  1  0.003  0.996  0.990  1.0
  O  O5  1  0.200  0.688  0.343  1.0
  O  O6  1  0.778  0.415  0.141  1.0
  O  O7  1  0.358  0.964  0.851  1.0
  O  O8  1  0.811  0.311  0.650  1.0
  O  O9  1  0.650  0.024  0.132  1.0
  O  O10  1  0.230  0.570  0.853  1.0
[/CIF]
.
The compound described by MgPr2(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(2)O6 octahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 5-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 Pr site, Pr(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 in a square co-planar geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the second Ni site, Ni(2) 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 NiO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. 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 Pr(1), two equivalent Pr(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), one Pr(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted edge and corner-sharing OPr2MgNi2 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(1), one Pr(2), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(1), one Pr(2), two equivalent Pr(1), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Pr(1), one Pr(2), and one Ni(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Pr(1), one Pr(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted edge and corner-sharing OPr2MgNi2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Pr2Mg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.580
_cell_length_b   5.743
_cell_length_c   5.514
_cell_angle_alpha   68.941
_cell_angle_beta   64.639
_cell_angle_gamma   49.821
_symmetry_Int_Tables_number   1
_cell_volume   142.810
_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
  Pr  Pr0  1  0.818  0.788  0.739  1.0
  Pr  Pr1  1  0.196  0.181  0.253  1.0
  Mg  Mg2  1  0.502  0.493  0.999  1.0
  Ni  Ni3  1  0.506  0.493  0.498  1.0
  Ni  Ni4  1  0.003  0.996  0.990  1.0
  O  O5  1  0.200  0.688  0.343  1.0
  O  O6  1  0.778  0.415  0.141  1.0
  O  O7  1  0.358  0.964  0.851  1.0
  O  O8  1  0.811  0.311  0.650  1.0
  O  O9  1  0.650  0.024  0.132  1.0
  O  O10  1  0.230  0.570  0.853  1.0
[/CIF]
.