The material described by MgPr5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Pr(3), two equivalent Pr(4), two equivalent Pr(5), and four equivalent Pr(2) atoms. There are five inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Pr(3), two equivalent Pr(5), and four equivalent Pr(4) atoms to form PrPr12 cuboctahedra that share corners with six equivalent Pr(3)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(1)Pr12 cuboctahedra, corners with six equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with three equivalent Pr(3)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with four equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with four equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(1)Pr12 cuboctahedra, and faces with six equivalent Pr(5)Pr10Mg2 cuboctahedra. In the second Pr site, Pr(2) is bonded to four equivalent Mg(1), two equivalent Pr(1), two equivalent Pr(2), two equivalent Pr(3), and two equivalent Pr(4) atoms to form distorted PrPr8Mg4 cuboctahedra that share corners with six equivalent Pr(3)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(1)Pr12 cuboctahedra, corners with six equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with three equivalent Pr(3)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(1)Pr12 cuboctahedra, edges with eight equivalent Pr(5)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(5)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Mg4 cuboctahedra, and faces with six equivalent Pr(4)Pr10Mg2 cuboctahedra. In the third Pr site, Pr(3) is bonded to two equivalent Mg(1), two equivalent Pr(1), two equivalent Pr(2), two equivalent Pr(3), and four equivalent Pr(5) atoms to form PrPr10Mg2 cuboctahedra that share corners with six equivalent Pr(3)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(1)Pr12 cuboctahedra, corners with six equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with three equivalent Pr(1)Pr12 cuboctahedra, edges with three equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with four equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with eight equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(1)Pr12 cuboctahedra, faces with two equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with four equivalent Pr(3)Pr10Mg2 cuboctahedra, and faces with four equivalent Pr(5)Pr10Mg2 cuboctahedra. In the fourth Pr site, Pr(4) is bonded to two equivalent Mg(1), two equivalent Pr(2), two equivalent Pr(4), two equivalent Pr(5), and four equivalent Pr(1) atoms to form distorted PrPr10Mg2 cuboctahedra that share corners with six equivalent Pr(4)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with four equivalent Pr(1)Pr12 cuboctahedra, edges with eight equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(5)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(1)Pr12 cuboctahedra, and faces with six equivalent Pr(2)Pr8Mg4 cuboctahedra. In the fifth Pr site, Pr(5) is bonded to two equivalent Mg(1), two equivalent Pr(1), two equivalent Pr(4), two equivalent Pr(5), and four equivalent Pr(3) atoms to form distorted PrPr10Mg2 cuboctahedra that share corners with six equivalent Pr(4)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(4)Pr10Mg2 cuboctahedra, edges with four equivalent Pr(3)Pr10Mg2 cuboctahedra, edges with eight equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with two equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with four equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(5)Pr10Mg2 cuboctahedra, and faces with six equivalent Pr(1)Pr12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.441
_cell_length_b   9.441
_cell_length_c   5.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.070
_symmetry_Int_Tables_number   1
_cell_volume   205.817
_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  0.008  0.992  0.000  1.0
  Pr  Pr1  1  0.677  0.323  0.000  1.0
  Pr  Pr2  1  0.336  0.664  0.000  1.0
  Pr  Pr3  1  0.554  0.446  0.500  1.0
  Pr  Pr4  1  0.875  0.125  0.500  1.0
  Mg  Mg5  1  0.217  0.783  0.500  1.0
[/CIF]
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The material described by MgPr5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Pr(3), two equivalent Pr(4), two equivalent Pr(5), and four equivalent Pr(2) atoms. There are five inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Pr(3), two equivalent Pr(5), and four equivalent Pr(4) atoms to form PrPr12 cuboctahedra that share corners with six equivalent Pr(3)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(1)Pr12 cuboctahedra, corners with six equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with three equivalent Pr(3)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with four equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with four equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(1)Pr12 cuboctahedra, and faces with six equivalent Pr(5)Pr10Mg2 cuboctahedra. In the second Pr site, Pr(2) is bonded to four equivalent Mg(1), two equivalent Pr(1), two equivalent Pr(2), two equivalent Pr(3), and two equivalent Pr(4) atoms to form distorted PrPr8Mg4 cuboctahedra that share corners with six equivalent Pr(3)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(1)Pr12 cuboctahedra, corners with six equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with three equivalent Pr(3)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(1)Pr12 cuboctahedra, edges with eight equivalent Pr(5)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(5)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Mg4 cuboctahedra, and faces with six equivalent Pr(4)Pr10Mg2 cuboctahedra. In the third Pr site, Pr(3) is bonded to two equivalent Mg(1), two equivalent Pr(1), two equivalent Pr(2), two equivalent Pr(3), and four equivalent Pr(5) atoms to form PrPr10Mg2 cuboctahedra that share corners with six equivalent Pr(3)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(1)Pr12 cuboctahedra, corners with six equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with three equivalent Pr(1)Pr12 cuboctahedra, edges with three equivalent Pr(2)Pr8Mg4 cuboctahedra, edges with four equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with eight equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(1)Pr12 cuboctahedra, faces with two equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with four equivalent Pr(3)Pr10Mg2 cuboctahedra, and faces with four equivalent Pr(5)Pr10Mg2 cuboctahedra. In the fourth Pr site, Pr(4) is bonded to two equivalent Mg(1), two equivalent Pr(2), two equivalent Pr(4), two equivalent Pr(5), and four equivalent Pr(1) atoms to form distorted PrPr10Mg2 cuboctahedra that share corners with six equivalent Pr(4)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with four equivalent Pr(1)Pr12 cuboctahedra, edges with eight equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(5)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(1)Pr12 cuboctahedra, and faces with six equivalent Pr(2)Pr8Mg4 cuboctahedra. In the fifth Pr site, Pr(5) is bonded to two equivalent Mg(1), two equivalent Pr(1), two equivalent Pr(4), two equivalent Pr(5), and four equivalent Pr(3) atoms to form distorted PrPr10Mg2 cuboctahedra that share corners with six equivalent Pr(4)Pr10Mg2 cuboctahedra, corners with six equivalent Pr(5)Pr10Mg2 cuboctahedra, edges with three equivalent Pr(4)Pr10Mg2 cuboctahedra, edges with four equivalent Pr(3)Pr10Mg2 cuboctahedra, edges with eight equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with two equivalent Pr(4)Pr10Mg2 cuboctahedra, faces with two equivalent Pr(2)Pr8Mg4 cuboctahedra, faces with four equivalent Pr(3)Pr10Mg2 cuboctahedra, faces with four equivalent Pr(5)Pr10Mg2 cuboctahedra, and faces with six equivalent Pr(1)Pr12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.441
_cell_length_b   9.441
_cell_length_c   5.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.070
_symmetry_Int_Tables_number   1
_cell_volume   205.817
_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  0.008  0.992  0.000  1.0
  Pr  Pr1  1  0.677  0.323  0.000  1.0
  Pr  Pr2  1  0.336  0.664  0.000  1.0
  Pr  Pr3  1  0.554  0.446  0.500  1.0
  Pr  Pr4  1  0.875  0.125  0.500  1.0
  Mg  Mg5  1  0.217  0.783  0.500  1.0
[/CIF]
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