The material structure described by BaPr3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Pr site, Pr(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), two equivalent Pr(2), two equivalent Pr(3), and one Ni(2) atom to form distorted OPr5Ni octahedra that share  a cornercorner with one O(4)Ba2Pr3Ni octahedra, corners with four equivalent O(1)Pr5Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(3)Ba2Pr3Ni octahedra, edges with two equivalent O(4)Ba2Pr3Ni octahedra, edges with four equivalent O(2)BaPr4Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Pr(2), two equivalent Pr(3), and one Ni(1) atom to form distorted OBaPr4Ni octahedra that share  a cornercorner with one O(3)Ba2Pr3Ni octahedra, corners with four equivalent O(2)BaPr4Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(3)Ba2Pr3Ni octahedra, edges with two equivalent O(4)Ba2Pr3Ni octahedra, edges with four equivalent O(1)Pr5Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Ba(1), one Pr(3), two equivalent Pr(1), and one Ni(1) atom to form distorted OBa2Pr3Ni octahedra that share  a cornercorner with one O(2)BaPr4Ni octahedra, corners with four equivalent O(3)Ba2Pr3Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(2)BaPr4Ni octahedra, edges with two equivalent O(1)Pr5Ni octahedra, edges with four equivalent O(4)Ba2Pr3Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Pr(2), two equivalent Pr(1), and one Ni(2) atom to form distorted OBa2Pr3Ni octahedra that share  a cornercorner with one O(1)Pr5Ni octahedra, corners with four equivalent O(4)Ba2Pr3Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(2)BaPr4Ni octahedra, edges with two equivalent O(1)Pr5Ni octahedra, edges with four equivalent O(3)Ba2Pr3Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(5) is bonded to one Ba(1), one Pr(1), one Pr(2), one Pr(3), one Ni(1), and one Ni(2) atom to form distorted OBaPr3Ni2 octahedra that share corners with two equivalent O(5)BaPr3Ni2 octahedra, corners with three equivalent O(3)Ba2Pr3Ni octahedra, corners with three equivalent O(4)Ba2Pr3Ni octahedra, corners with three equivalent O(2)BaPr4Ni octahedra, corners with three equivalent O(1)Pr5Ni octahedra, edges with two equivalent O(5)BaPr3Ni2 octahedra,  a faceface with one O(3)Ba2Pr3Ni octahedra,  a faceface with one O(4)Ba2Pr3Ni octahedra,  a faceface with one O(2)BaPr4Ni octahedra,  a faceface with one O(1)Pr5Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPr3(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.959
_cell_length_b   6.959
_cell_length_c   5.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.985
_symmetry_Int_Tables_number   1
_cell_volume   191.248
_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
  Ba  Ba0  1  0.856  0.144  0.500  1.0
  Pr  Pr1  1  0.363  0.637  0.000  1.0
  Pr  Pr2  1  0.639  0.361  0.000  1.0
  Pr  Pr3  1  0.135  0.865  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.997  0.003  0.000  1.0
  O  O6  1  0.180  0.820  0.000  1.0
  O  O7  1  0.658  0.342  0.500  1.0
  O  O8  1  0.321  0.679  0.500  1.0
  O  O9  1  0.825  0.175  0.000  1.0
  O  O10  1  0.260  0.247  0.763  1.0
  O  O11  1  0.753  0.740  0.237  1.0
  O  O12  1  0.260  0.247  0.237  1.0
  O  O13  1  0.753  0.740  0.763  1.0
[/CIF]
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The material structure described by BaPr3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Pr site, Pr(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), two equivalent Pr(2), two equivalent Pr(3), and one Ni(2) atom to form distorted OPr5Ni octahedra that share  a cornercorner with one O(4)Ba2Pr3Ni octahedra, corners with four equivalent O(1)Pr5Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(3)Ba2Pr3Ni octahedra, edges with two equivalent O(4)Ba2Pr3Ni octahedra, edges with four equivalent O(2)BaPr4Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Pr(2), two equivalent Pr(3), and one Ni(1) atom to form distorted OBaPr4Ni octahedra that share  a cornercorner with one O(3)Ba2Pr3Ni octahedra, corners with four equivalent O(2)BaPr4Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(3)Ba2Pr3Ni octahedra, edges with two equivalent O(4)Ba2Pr3Ni octahedra, edges with four equivalent O(1)Pr5Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Ba(1), one Pr(3), two equivalent Pr(1), and one Ni(1) atom to form distorted OBa2Pr3Ni octahedra that share  a cornercorner with one O(2)BaPr4Ni octahedra, corners with four equivalent O(3)Ba2Pr3Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(2)BaPr4Ni octahedra, edges with two equivalent O(1)Pr5Ni octahedra, edges with four equivalent O(4)Ba2Pr3Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Pr(2), two equivalent Pr(1), and one Ni(2) atom to form distorted OBa2Pr3Ni octahedra that share  a cornercorner with one O(1)Pr5Ni octahedra, corners with four equivalent O(4)Ba2Pr3Ni octahedra, corners with twelve equivalent O(5)BaPr3Ni2 octahedra, edges with two equivalent O(2)BaPr4Ni octahedra, edges with two equivalent O(1)Pr5Ni octahedra, edges with four equivalent O(3)Ba2Pr3Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(5) is bonded to one Ba(1), one Pr(1), one Pr(2), one Pr(3), one Ni(1), and one Ni(2) atom to form distorted OBaPr3Ni2 octahedra that share corners with two equivalent O(5)BaPr3Ni2 octahedra, corners with three equivalent O(3)Ba2Pr3Ni octahedra, corners with three equivalent O(4)Ba2Pr3Ni octahedra, corners with three equivalent O(2)BaPr4Ni octahedra, corners with three equivalent O(1)Pr5Ni octahedra, edges with two equivalent O(5)BaPr3Ni2 octahedra,  a faceface with one O(3)Ba2Pr3Ni octahedra,  a faceface with one O(4)Ba2Pr3Ni octahedra,  a faceface with one O(2)BaPr4Ni octahedra,  a faceface with one O(1)Pr5Ni octahedra, and faces with four equivalent O(5)BaPr3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPr3(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.959
_cell_length_b   6.959
_cell_length_c   5.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.985
_symmetry_Int_Tables_number   1
_cell_volume   191.248
_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
  Ba  Ba0  1  0.856  0.144  0.500  1.0
  Pr  Pr1  1  0.363  0.637  0.000  1.0
  Pr  Pr2  1  0.639  0.361  0.000  1.0
  Pr  Pr3  1  0.135  0.865  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.997  0.003  0.000  1.0
  O  O6  1  0.180  0.820  0.000  1.0
  O  O7  1  0.658  0.342  0.500  1.0
  O  O8  1  0.321  0.679  0.500  1.0
  O  O9  1  0.825  0.175  0.000  1.0
  O  O10  1  0.260  0.247  0.763  1.0
  O  O11  1  0.753  0.740  0.237  1.0
  O  O12  1  0.260  0.247  0.237  1.0
  O  O13  1  0.753  0.740  0.763  1.0
[/CIF]
.