The structure described by MgPr(NiO3)4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Pr(1) is bonded in a distorted q6 geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pr(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMg(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.149
_cell_length_c   7.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.895
_symmetry_Int_Tables_number   1
_cell_volume   204.334
_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  0.034  0.966  0.500  1.0
  Mg  Mg1  1  0.483  0.517  0.000  1.0
  Ni  Ni2  1  0.502  0.003  0.238  1.0
  Ni  Ni3  1  0.502  0.003  0.762  1.0
  Ni  Ni4  1  0.997  0.498  0.762  1.0
  Ni  Ni5  1  0.997  0.498  0.238  1.0
  O  O6  1  0.184  0.185  0.237  1.0
  O  O7  1  0.815  0.816  0.237  1.0
  O  O8  1  0.815  0.816  0.763  1.0
  O  O9  1  0.184  0.185  0.763  1.0
  O  O10  1  0.307  0.693  0.306  1.0
  O  O11  1  0.680  0.320  0.175  1.0
  O  O12  1  0.680  0.320  0.825  1.0
  O  O13  1  0.307  0.693  0.694  1.0
  O  O14  1  0.449  0.902  0.000  1.0
  O  O15  1  0.549  0.062  0.500  1.0
  O  O16  1  0.098  0.551  0.000  1.0
  O  O17  1  0.938  0.451  0.500  1.0
[/CIF]
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The structure described by MgPr(NiO3)4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Pr(1) is bonded in a distorted q6 geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pr(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMg(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.149
_cell_length_c   7.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.895
_symmetry_Int_Tables_number   1
_cell_volume   204.334
_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  0.034  0.966  0.500  1.0
  Mg  Mg1  1  0.483  0.517  0.000  1.0
  Ni  Ni2  1  0.502  0.003  0.238  1.0
  Ni  Ni3  1  0.502  0.003  0.762  1.0
  Ni  Ni4  1  0.997  0.498  0.762  1.0
  Ni  Ni5  1  0.997  0.498  0.238  1.0
  O  O6  1  0.184  0.185  0.237  1.0
  O  O7  1  0.815  0.816  0.237  1.0
  O  O8  1  0.815  0.816  0.763  1.0
  O  O9  1  0.184  0.185  0.763  1.0
  O  O10  1  0.307  0.693  0.306  1.0
  O  O11  1  0.680  0.320  0.175  1.0
  O  O12  1  0.680  0.320  0.825  1.0
  O  O13  1  0.307  0.693  0.694  1.0
  O  O14  1  0.449  0.902  0.000  1.0
  O  O15  1  0.549  0.062  0.500  1.0
  O  O16  1  0.098  0.551  0.000  1.0
  O  O17  1  0.938  0.451  0.500  1.0
[/CIF]
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