The structure described by Pr2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(2) atoms. In the second Pr site, Pr(2) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of distorted edge and corner-sharing PrC5 square pyramids. Re(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Pr(1), three equivalent Pr(2), and one Re(1) atom to form distorted CPr5Re octahedra that share corners with two equivalent C(2)Pr4Re2 octahedra, corners with four equivalent C(1)Pr5Re octahedra, edges with two equivalent C(1)Pr5Re octahedra, and edges with five equivalent C(2)Pr4Re2 octahedra. The corner-sharing octahedral tilt angles range from 7-44°. In the second C site, C(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Re(1) atoms to form CPr4Re2 octahedra that share corners with two equivalent C(2)Pr4Re2 octahedra, corners with two equivalent C(1)Pr5Re octahedra, edges with two equivalent C(2)Pr4Re2 octahedra, and edges with five equivalent C(1)Pr5Re octahedra. The corner-sharing octahedral tilt angles range from 13-44°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   6.728
_cell_length_c   10.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.312
_cell_formula_units_Z   4
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  0.750  0.526  0.788  1.0
  Pr  Pr1  1  0.250  0.974  0.288  1.0
  Pr  Pr2  1  0.750  0.690  0.450  1.0
  Pr  Pr3  1  0.250  0.810  0.950  1.0
  Pr  Pr4  1  0.750  0.190  0.050  1.0
  Pr  Pr5  1  0.250  0.310  0.550  1.0
  Pr  Pr6  1  0.250  0.474  0.212  1.0
  Pr  Pr7  1  0.750  0.026  0.712  1.0
  Re  Re8  1  0.250  0.268  0.856  1.0
  Re  Re9  1  0.250  0.768  0.644  1.0
  Re  Re10  1  0.750  0.232  0.356  1.0
  Re  Re11  1  0.750  0.732  0.144  1.0
  C  C12  1  0.250  0.691  0.467  1.0
  C  C13  1  0.250  0.532  0.758  1.0
  C  C14  1  0.750  0.468  0.242  1.0
  C  C15  1  0.750  0.809  0.967  1.0
  C  C16  1  0.250  0.032  0.742  1.0
  C  C17  1  0.250  0.191  0.033  1.0
  C  C18  1  0.750  0.309  0.533  1.0
  C  C19  1  0.750  0.968  0.258  1.0
[/CIF]
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The structure described by Pr2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(2) atoms. In the second Pr site, Pr(2) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of distorted edge and corner-sharing PrC5 square pyramids. Re(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Pr(1), three equivalent Pr(2), and one Re(1) atom to form distorted CPr5Re octahedra that share corners with two equivalent C(2)Pr4Re2 octahedra, corners with four equivalent C(1)Pr5Re octahedra, edges with two equivalent C(1)Pr5Re octahedra, and edges with five equivalent C(2)Pr4Re2 octahedra. The corner-sharing octahedral tilt angles range from 7-44°. In the second C site, C(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Re(1) atoms to form CPr4Re2 octahedra that share corners with two equivalent C(2)Pr4Re2 octahedra, corners with two equivalent C(1)Pr5Re octahedra, edges with two equivalent C(2)Pr4Re2 octahedra, and edges with five equivalent C(1)Pr5Re octahedra. The corner-sharing octahedral tilt angles range from 13-44°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   6.728
_cell_length_c   10.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.312
_cell_formula_units_Z   4
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  0.750  0.526  0.788  1.0
  Pr  Pr1  1  0.250  0.974  0.288  1.0
  Pr  Pr2  1  0.750  0.690  0.450  1.0
  Pr  Pr3  1  0.250  0.810  0.950  1.0
  Pr  Pr4  1  0.750  0.190  0.050  1.0
  Pr  Pr5  1  0.250  0.310  0.550  1.0
  Pr  Pr6  1  0.250  0.474  0.212  1.0
  Pr  Pr7  1  0.750  0.026  0.712  1.0
  Re  Re8  1  0.250  0.268  0.856  1.0
  Re  Re9  1  0.250  0.768  0.644  1.0
  Re  Re10  1  0.750  0.232  0.356  1.0
  Re  Re11  1  0.750  0.732  0.144  1.0
  C  C12  1  0.250  0.691  0.467  1.0
  C  C13  1  0.250  0.532  0.758  1.0
  C  C14  1  0.750  0.468  0.242  1.0
  C  C15  1  0.750  0.809  0.967  1.0
  C  C16  1  0.250  0.032  0.742  1.0
  C  C17  1  0.250  0.191  0.033  1.0
  C  C18  1  0.750  0.309  0.533  1.0
  C  C19  1  0.750  0.968  0.258  1.0
[/CIF]
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