The structure described by Nd2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted square co-planar geometry to two equivalent C(1) and two equivalent C(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of distorted edge and corner-sharing NdC5 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 Nd(1), three equivalent Nd(2), and one Re(1) atom to form distorted CNd5Re octahedra that share corners with two equivalent C(2)Nd4Re2 octahedra, corners with four equivalent C(1)Nd5Re octahedra, edges with two equivalent C(1)Nd5Re octahedra, and edges with five equivalent C(2)Nd4Re2 octahedra. The corner-sharing octahedral tilt angles range from 6-44°. In the second C site, C(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Re(1) atoms to form CNd4Re2 octahedra that share corners with two equivalent C(2)Nd4Re2 octahedra, corners with two equivalent C(1)Nd5Re octahedra, edges with two equivalent C(2)Nd4Re2 octahedra, and edges with five equivalent C(1)Nd5Re octahedra. The corner-sharing octahedral tilt angles range from 13-44°. is represented by the CIF card [CIF]
data_Nd2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   6.702
_cell_length_c   10.215
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.059
_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
  Nd  Nd0  1  0.250  0.473  0.787  1.0
  Nd  Nd1  1  0.750  0.027  0.287  1.0
  Nd  Nd2  1  0.250  0.973  0.713  1.0
  Nd  Nd3  1  0.750  0.527  0.213  1.0
  Nd  Nd4  1  0.250  0.812  0.051  1.0
  Nd  Nd5  1  0.750  0.688  0.551  1.0
  Nd  Nd6  1  0.250  0.312  0.449  1.0
  Nd  Nd7  1  0.750  0.188  0.949  1.0
  Re  Re8  1  0.250  0.270  0.143  1.0
  Re  Re9  1  0.750  0.230  0.643  1.0
  Re  Re10  1  0.250  0.770  0.357  1.0
  Re  Re11  1  0.750  0.730  0.857  1.0
  C  C12  1  0.250  0.688  0.536  1.0
  C  C13  1  0.750  0.812  0.036  1.0
  C  C14  1  0.250  0.188  0.964  1.0
  C  C15  1  0.750  0.312  0.464  1.0
  C  C16  1  0.250  0.034  0.258  1.0
  C  C17  1  0.750  0.466  0.758  1.0
  C  C18  1  0.250  0.534  0.242  1.0
  C  C19  1  0.750  0.966  0.742  1.0
[/CIF]
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The structure described by Nd2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted square co-planar geometry to two equivalent C(1) and two equivalent C(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of distorted edge and corner-sharing NdC5 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 Nd(1), three equivalent Nd(2), and one Re(1) atom to form distorted CNd5Re octahedra that share corners with two equivalent C(2)Nd4Re2 octahedra, corners with four equivalent C(1)Nd5Re octahedra, edges with two equivalent C(1)Nd5Re octahedra, and edges with five equivalent C(2)Nd4Re2 octahedra. The corner-sharing octahedral tilt angles range from 6-44°. In the second C site, C(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Re(1) atoms to form CNd4Re2 octahedra that share corners with two equivalent C(2)Nd4Re2 octahedra, corners with two equivalent C(1)Nd5Re octahedra, edges with two equivalent C(2)Nd4Re2 octahedra, and edges with five equivalent C(1)Nd5Re octahedra. The corner-sharing octahedral tilt angles range from 13-44°. is represented by the CIF card [CIF]
data_Nd2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   6.702
_cell_length_c   10.215
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.059
_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
  Nd  Nd0  1  0.250  0.473  0.787  1.0
  Nd  Nd1  1  0.750  0.027  0.287  1.0
  Nd  Nd2  1  0.250  0.973  0.713  1.0
  Nd  Nd3  1  0.750  0.527  0.213  1.0
  Nd  Nd4  1  0.250  0.812  0.051  1.0
  Nd  Nd5  1  0.750  0.688  0.551  1.0
  Nd  Nd6  1  0.250  0.312  0.449  1.0
  Nd  Nd7  1  0.750  0.188  0.949  1.0
  Re  Re8  1  0.250  0.270  0.143  1.0
  Re  Re9  1  0.750  0.230  0.643  1.0
  Re  Re10  1  0.250  0.770  0.357  1.0
  Re  Re11  1  0.750  0.730  0.857  1.0
  C  C12  1  0.250  0.688  0.536  1.0
  C  C13  1  0.750  0.812  0.036  1.0
  C  C14  1  0.250  0.188  0.964  1.0
  C  C15  1  0.750  0.312  0.464  1.0
  C  C16  1  0.250  0.034  0.258  1.0
  C  C17  1  0.750  0.466  0.758  1.0
  C  C18  1  0.250  0.534  0.242  1.0
  C  C19  1  0.750  0.966  0.742  1.0
[/CIF]
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