The structure described by PrGaSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Pr(1) is bonded to six equivalent Ga(1) and six Si(1,1) atoms to form a mixture of edge and face-sharing PrGa6Si6 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Si(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Si(1,1) atoms. In the third Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Si(1,1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Ga(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ga(1,1) atoms. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ga(1,1) atoms. In the fourth Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ga(1,1) atoms. is represented by the CIF card [CIF]
data_PrGaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.748
_cell_length_b   7.748
_cell_length_c   7.748
_cell_angle_alpha   148.170
_cell_angle_beta   148.170
_cell_angle_gamma   45.634
_symmetry_Int_Tables_number   1
_cell_volume   128.970
_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  0.625  0.125  0.500  1.0
  Pr  Pr1  1  0.875  0.875  0.000  1.0
  Ga  Ga2  1  0.458  0.458  0.000  1.0
  Ga  Ga3  1  0.208  0.708  0.500  1.0
  Si  Si4  1  0.042  0.542  0.500  1.0
  Si  Si5  1  0.292  0.292  0.000  1.0
[/CIF]
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The structure described by PrGaSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Pr(1) is bonded to six equivalent Ga(1) and six Si(1,1) atoms to form a mixture of edge and face-sharing PrGa6Si6 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Si(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Si(1,1) atoms. In the third Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Si(1,1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Ga(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ga(1,1) atoms. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ga(1,1) atoms. In the fourth Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three Ga(1,1) atoms. is represented by the CIF card [CIF]
data_PrGaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.748
_cell_length_b   7.748
_cell_length_c   7.748
_cell_angle_alpha   148.170
_cell_angle_beta   148.170
_cell_angle_gamma   45.634
_symmetry_Int_Tables_number   1
_cell_volume   128.970
_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  0.625  0.125  0.500  1.0
  Pr  Pr1  1  0.875  0.875  0.000  1.0
  Ga  Ga2  1  0.458  0.458  0.000  1.0
  Ga  Ga3  1  0.208  0.708  0.500  1.0
  Si  Si4  1  0.042  0.542  0.500  1.0
  Si  Si5  1  0.292  0.292  0.000  1.0
[/CIF]
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