The material structure described by MgPr5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Pr(1) and six equivalent Pr(2) atoms to form MgPr12 cuboctahedra that share corners with six equivalent Mg(1)Pr12 cuboctahedra, corners with twelve equivalent Pr(2)Pr9Mg3 cuboctahedra, edges with six equivalent Mg(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(2)Pr9Mg3 cuboctahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Pr(1), and four equivalent Pr(2) atoms. In the second Pr site, Pr(2) is bonded to three equivalent Mg(1), three equivalent Pr(2), and six equivalent Pr(1) atoms to form distorted PrPr9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Pr12 cuboctahedra, corners with twelve equivalent Pr(2)Pr9Mg3 cuboctahedra, edges with six equivalent Pr(2)Pr9Mg3 cuboctahedra, faces with four equivalent Mg(1)Pr12 cuboctahedra, and faces with four equivalent Pr(2)Pr9Mg3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.835
_cell_length_b   6.835
_cell_length_c   6.835
_cell_angle_alpha   55.811
_cell_angle_beta   55.811
_cell_angle_gamma   55.811
_symmetry_Int_Tables_number   1
_cell_volume   203.888
_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  0.121  0.879  0.500  1.0
  Pr  Pr1  1  0.500  0.121  0.879  1.0
  Pr  Pr2  1  0.879  0.500  0.121  1.0
  Pr  Pr3  1  0.655  0.655  0.655  1.0
  Pr  Pr4  1  0.345  0.345  0.345  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by MgPr5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Pr(1) and six equivalent Pr(2) atoms to form MgPr12 cuboctahedra that share corners with six equivalent Mg(1)Pr12 cuboctahedra, corners with twelve equivalent Pr(2)Pr9Mg3 cuboctahedra, edges with six equivalent Mg(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(2)Pr9Mg3 cuboctahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Pr(1), and four equivalent Pr(2) atoms. In the second Pr site, Pr(2) is bonded to three equivalent Mg(1), three equivalent Pr(2), and six equivalent Pr(1) atoms to form distorted PrPr9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Pr12 cuboctahedra, corners with twelve equivalent Pr(2)Pr9Mg3 cuboctahedra, edges with six equivalent Pr(2)Pr9Mg3 cuboctahedra, faces with four equivalent Mg(1)Pr12 cuboctahedra, and faces with four equivalent Pr(2)Pr9Mg3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.835
_cell_length_b   6.835
_cell_length_c   6.835
_cell_angle_alpha   55.811
_cell_angle_beta   55.811
_cell_angle_gamma   55.811
_symmetry_Int_Tables_number   1
_cell_volume   203.888
_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  0.121  0.879  0.500  1.0
  Pr  Pr1  1  0.500  0.121  0.879  1.0
  Pr  Pr2  1  0.879  0.500  0.121  1.0
  Pr  Pr3  1  0.655  0.655  0.655  1.0
  Pr  Pr4  1  0.345  0.345  0.345  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
[/CIF]
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