The crystal structure described by PrSiAs3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one As(6), two equivalent As(1), two equivalent As(2), two equivalent As(3), and two equivalent As(4) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one As(5), two equivalent As(1), two equivalent As(2), two equivalent As(3), and two equivalent As(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one As(2), one As(6), and two equivalent As(5) atoms to form corner-sharing SiAs4 tetrahedra. In the second Si site, Si(2) is bonded to one As(1), one As(5), and two equivalent As(6) atoms to form corner-sharing SiAs4 tetrahedra. There are six inequivalent As sites. In the first As site, As(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2), one Si(2), and two equivalent Si(1) atoms. In the second As site, As(6) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Si(1), and two equivalent Si(2) atoms. In the third As site, As(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Si(2) atom to form a mixture of distorted edge and corner-sharing AsPr4Si trigonal bipyramids. In the fourth As site, As(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing AsPr4Si trigonal bipyramids. In the fifth As site, As(3) is bonded in a distorted hexagonal planar geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent As(4) atoms. In the sixth As site, As(4) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent As(3) atoms. is represented by the CIF file [CIF]
data_PrSiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.023
_cell_length_b   26.683
_cell_length_c   5.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   956.721
_cell_formula_units_Z   8
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  0.521  0.410  0.755  1.0
  Pr  Pr1  1  0.479  0.590  0.255  1.0
  Pr  Pr2  1  0.979  0.910  0.255  1.0
  Pr  Pr3  1  0.021  0.090  0.755  1.0
  Pr  Pr4  1  0.022  0.405  0.255  1.0
  Pr  Pr5  1  0.978  0.595  0.755  1.0
  Pr  Pr6  1  0.478  0.905  0.755  1.0
  Pr  Pr7  1  0.522  0.095  0.255  1.0
  Si  Si8  1  0.444  0.294  0.333  1.0
  Si  Si9  1  0.556  0.706  0.833  1.0
  Si  Si10  1  0.056  0.794  0.833  1.0
  Si  Si11  1  0.944  0.206  0.333  1.0
  Si  Si12  1  0.115  0.292  0.832  1.0
  Si  Si13  1  0.885  0.708  0.332  1.0
  Si  Si14  1  0.385  0.792  0.332  1.0
  Si  Si15  1  0.615  0.208  0.832  1.0
  As  As16  1  0.016  0.375  0.752  1.0
  As  As17  1  0.984  0.625  0.252  1.0
  As  As18  1  0.484  0.875  0.252  1.0
  As  As19  1  0.516  0.125  0.752  1.0
  As  As20  1  0.527  0.378  0.252  1.0
  As  As21  1  0.473  0.622  0.752  1.0
  As  As22  1  0.973  0.878  0.752  1.0
  As  As23  1  0.027  0.122  0.252  1.0
  As  As24  1  0.791  0.498  0.479  1.0
  As  As25  1  0.209  0.502  0.979  1.0
  As  As26  1  0.709  0.998  0.979  1.0
  As  As27  1  0.291  0.002  0.479  1.0
  As  As28  1  0.213  0.502  0.543  1.0
  As  As29  1  0.787  0.498  0.043  1.0
  As  As30  1  0.287  0.002  0.043  1.0
  As  As31  1  0.713  0.998  0.543  1.0
  As  As32  1  0.068  0.287  0.229  1.0
  As  As33  1  0.932  0.713  0.729  1.0
  As  As34  1  0.432  0.787  0.729  1.0
  As  As35  1  0.568  0.213  0.229  1.0
  As  As36  1  0.493  0.291  0.730  1.0
  As  As37  1  0.507  0.709  0.230  1.0
  As  As38  1  0.007  0.791  0.230  1.0
  As  As39  1  0.993  0.209  0.730  1.0
[/CIF]
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The crystal structure described by PrSiAs3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one As(6), two equivalent As(1), two equivalent As(2), two equivalent As(3), and two equivalent As(4) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one As(5), two equivalent As(1), two equivalent As(2), two equivalent As(3), and two equivalent As(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one As(2), one As(6), and two equivalent As(5) atoms to form corner-sharing SiAs4 tetrahedra. In the second Si site, Si(2) is bonded to one As(1), one As(5), and two equivalent As(6) atoms to form corner-sharing SiAs4 tetrahedra. There are six inequivalent As sites. In the first As site, As(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2), one Si(2), and two equivalent Si(1) atoms. In the second As site, As(6) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Si(1), and two equivalent Si(2) atoms. In the third As site, As(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Si(2) atom to form a mixture of distorted edge and corner-sharing AsPr4Si trigonal bipyramids. In the fourth As site, As(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing AsPr4Si trigonal bipyramids. In the fifth As site, As(3) is bonded in a distorted hexagonal planar geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent As(4) atoms. In the sixth As site, As(4) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent As(3) atoms. is represented by the CIF file [CIF]
data_PrSiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.023
_cell_length_b   26.683
_cell_length_c   5.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   956.721
_cell_formula_units_Z   8
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  0.521  0.410  0.755  1.0
  Pr  Pr1  1  0.479  0.590  0.255  1.0
  Pr  Pr2  1  0.979  0.910  0.255  1.0
  Pr  Pr3  1  0.021  0.090  0.755  1.0
  Pr  Pr4  1  0.022  0.405  0.255  1.0
  Pr  Pr5  1  0.978  0.595  0.755  1.0
  Pr  Pr6  1  0.478  0.905  0.755  1.0
  Pr  Pr7  1  0.522  0.095  0.255  1.0
  Si  Si8  1  0.444  0.294  0.333  1.0
  Si  Si9  1  0.556  0.706  0.833  1.0
  Si  Si10  1  0.056  0.794  0.833  1.0
  Si  Si11  1  0.944  0.206  0.333  1.0
  Si  Si12  1  0.115  0.292  0.832  1.0
  Si  Si13  1  0.885  0.708  0.332  1.0
  Si  Si14  1  0.385  0.792  0.332  1.0
  Si  Si15  1  0.615  0.208  0.832  1.0
  As  As16  1  0.016  0.375  0.752  1.0
  As  As17  1  0.984  0.625  0.252  1.0
  As  As18  1  0.484  0.875  0.252  1.0
  As  As19  1  0.516  0.125  0.752  1.0
  As  As20  1  0.527  0.378  0.252  1.0
  As  As21  1  0.473  0.622  0.752  1.0
  As  As22  1  0.973  0.878  0.752  1.0
  As  As23  1  0.027  0.122  0.252  1.0
  As  As24  1  0.791  0.498  0.479  1.0
  As  As25  1  0.209  0.502  0.979  1.0
  As  As26  1  0.709  0.998  0.979  1.0
  As  As27  1  0.291  0.002  0.479  1.0
  As  As28  1  0.213  0.502  0.543  1.0
  As  As29  1  0.787  0.498  0.043  1.0
  As  As30  1  0.287  0.002  0.043  1.0
  As  As31  1  0.713  0.998  0.543  1.0
  As  As32  1  0.068  0.287  0.229  1.0
  As  As33  1  0.932  0.713  0.729  1.0
  As  As34  1  0.432  0.787  0.729  1.0
  As  As35  1  0.568  0.213  0.229  1.0
  As  As36  1  0.493  0.291  0.730  1.0
  As  As37  1  0.507  0.709  0.230  1.0
  As  As38  1  0.007  0.791  0.230  1.0
  As  As39  1  0.993  0.209  0.730  1.0
[/CIF]
.