The structure described by Pr5GeSi2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Ge(1) and four equivalent Si(1) atoms to form distorted PrSi4Ge2 octahedra that share corners with six equivalent Pr(1)Si4Ge2 octahedra, corners with sixteen equivalent Pr(2)Si3Ge2 trigonal bipyramids, and faces with eight equivalent Pr(2)Si3Ge2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-57°. In the second Pr site, Pr(2) is bonded to two equivalent Ge(1) and three equivalent Si(1) atoms to form distorted PrSi3Ge2 trigonal bipyramids that share corners with four equivalent Pr(1)Si4Ge2 octahedra, corners with twelve equivalent Pr(2)Si3Ge2 trigonal bipyramids, edges with seven equivalent Pr(2)Si3Ge2 trigonal bipyramids, faces with two equivalent Pr(1)Si4Ge2 octahedra, and  a faceface with one Pr(2)Si3Ge2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-63°. Ge(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1) and eight equivalent Pr(2) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), six equivalent Pr(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Pr5Si2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.900
_cell_length_b   8.990
_cell_length_c   7.900
_cell_angle_alpha   116.064
_cell_angle_beta   90.000
_cell_angle_gamma   116.064
_symmetry_Int_Tables_number   1
_cell_volume   439.618
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.000  0.500  1.0
  Pr  Pr2  1  0.531  0.709  0.679  1.0
  Pr  Pr3  1  0.179  0.709  0.031  1.0
  Pr  Pr4  1  0.679  0.709  0.179  1.0
  Pr  Pr5  1  0.031  0.709  0.531  1.0
  Pr  Pr6  1  0.469  0.291  0.321  1.0
  Pr  Pr7  1  0.821  0.291  0.969  1.0
  Pr  Pr8  1  0.321  0.291  0.821  1.0
  Pr  Pr9  1  0.969  0.291  0.469  1.0
  Si  Si10  1  0.885  0.000  0.615  1.0
  Si  Si11  1  0.115  0.000  0.385  1.0
  Si  Si12  1  0.615  0.000  0.115  1.0
  Si  Si13  1  0.385  0.000  0.885  1.0
  Ge  Ge14  1  0.750  0.500  0.750  1.0
  Ge  Ge15  1  0.250  0.500  0.250  1.0
[/CIF]
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The structure described by Pr5GeSi2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Ge(1) and four equivalent Si(1) atoms to form distorted PrSi4Ge2 octahedra that share corners with six equivalent Pr(1)Si4Ge2 octahedra, corners with sixteen equivalent Pr(2)Si3Ge2 trigonal bipyramids, and faces with eight equivalent Pr(2)Si3Ge2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-57°. In the second Pr site, Pr(2) is bonded to two equivalent Ge(1) and three equivalent Si(1) atoms to form distorted PrSi3Ge2 trigonal bipyramids that share corners with four equivalent Pr(1)Si4Ge2 octahedra, corners with twelve equivalent Pr(2)Si3Ge2 trigonal bipyramids, edges with seven equivalent Pr(2)Si3Ge2 trigonal bipyramids, faces with two equivalent Pr(1)Si4Ge2 octahedra, and  a faceface with one Pr(2)Si3Ge2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-63°. Ge(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1) and eight equivalent Pr(2) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), six equivalent Pr(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Pr5Si2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.900
_cell_length_b   8.990
_cell_length_c   7.900
_cell_angle_alpha   116.064
_cell_angle_beta   90.000
_cell_angle_gamma   116.064
_symmetry_Int_Tables_number   1
_cell_volume   439.618
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.000  0.500  1.0
  Pr  Pr2  1  0.531  0.709  0.679  1.0
  Pr  Pr3  1  0.179  0.709  0.031  1.0
  Pr  Pr4  1  0.679  0.709  0.179  1.0
  Pr  Pr5  1  0.031  0.709  0.531  1.0
  Pr  Pr6  1  0.469  0.291  0.321  1.0
  Pr  Pr7  1  0.821  0.291  0.969  1.0
  Pr  Pr8  1  0.321  0.291  0.821  1.0
  Pr  Pr9  1  0.969  0.291  0.469  1.0
  Si  Si10  1  0.885  0.000  0.615  1.0
  Si  Si11  1  0.115  0.000  0.385  1.0
  Si  Si12  1  0.615  0.000  0.115  1.0
  Si  Si13  1  0.385  0.000  0.885  1.0
  Ge  Ge14  1  0.750  0.500  0.750  1.0
  Ge  Ge15  1  0.250  0.500  0.250  1.0
[/CIF]
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