The crystal structure described by Pr3Si2C2 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to six equivalent Si(1) and two equivalent C(1) atoms. In the second Pr site, Pr(2) is bonded to two equivalent Si(1) and four equivalent C(1) atoms to form distorted PrSi2C4 octahedra that share corners with four equivalent C(1)Pr4C trigonal bipyramids and edges with two equivalent Pr(2)Si2C4 octahedra. Si(1) is bonded in a 9-coordinate geometry to one Pr(2), six equivalent Pr(1), and two equivalent Si(1) atoms. C(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one C(1) atom to form distorted CPr4C trigonal bipyramids that share corners with two equivalent Pr(2)Si2C4 octahedra, corners with four equivalent C(1)Pr4C trigonal bipyramids, and edges with two equivalent C(1)Pr4C trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF file [CIF]
data_Pr3(SiC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.299
_cell_length_b   4.226
_cell_length_c   8.651
_cell_angle_alpha   90.000
_cell_angle_beta   75.614
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.232
_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  0.658  0.539  0.685  1.0
  Pr  Pr1  1  0.342  0.539  0.315  1.0
  Pr  Pr2  1  0.000  0.042  0.000  1.0
  Si  Si3  1  0.797  0.039  0.406  1.0
  Si  Si4  1  0.203  0.039  0.594  1.0
  C  C5  1  0.649  0.542  0.000  1.0
  C  C6  1  0.351  0.542  0.000  1.0
[/CIF]
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The crystal structure described by Pr3Si2C2 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to six equivalent Si(1) and two equivalent C(1) atoms. In the second Pr site, Pr(2) is bonded to two equivalent Si(1) and four equivalent C(1) atoms to form distorted PrSi2C4 octahedra that share corners with four equivalent C(1)Pr4C trigonal bipyramids and edges with two equivalent Pr(2)Si2C4 octahedra. Si(1) is bonded in a 9-coordinate geometry to one Pr(2), six equivalent Pr(1), and two equivalent Si(1) atoms. C(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one C(1) atom to form distorted CPr4C trigonal bipyramids that share corners with two equivalent Pr(2)Si2C4 octahedra, corners with four equivalent C(1)Pr4C trigonal bipyramids, and edges with two equivalent C(1)Pr4C trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF file [CIF]
data_Pr3(SiC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.299
_cell_length_b   4.226
_cell_length_c   8.651
_cell_angle_alpha   90.000
_cell_angle_beta   75.614
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.232
_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  0.658  0.539  0.685  1.0
  Pr  Pr1  1  0.342  0.539  0.315  1.0
  Pr  Pr2  1  0.000  0.042  0.000  1.0
  Si  Si3  1  0.797  0.039  0.406  1.0
  Si  Si4  1  0.203  0.039  0.594  1.0
  C  C5  1  0.649  0.542  0.000  1.0
  C  C6  1  0.351  0.542  0.000  1.0
[/CIF]
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