The structure described by Tb2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of edge and corner-sharing TbC5 square pyramids. In the second Tb site, Tb(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. 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 Tb(2), three equivalent Tb(1), and one Re(1) atom to form CTb5Re octahedra that share corners with two equivalent C(2)Tb4Re2 octahedra, corners with four equivalent C(1)Tb5Re octahedra, edges with two equivalent C(1)Tb5Re octahedra, and edges with five equivalent C(2)Tb4Re2 octahedra. The corner-sharing octahedral tilt angles range from 4-40°. In the second C site, C(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Re(1) atoms to form CTb4Re2 octahedra that share corners with two equivalent C(2)Tb4Re2 octahedra, corners with two equivalent C(1)Tb5Re octahedra, edges with two equivalent C(2)Tb4Re2 octahedra, and edges with five equivalent C(1)Tb5Re octahedra. The corner-sharing octahedral tilt angles range from 12-40°. is represented by the CIF file [CIF]
data_Tb2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   6.582
_cell_length_c   9.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.913
_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
  Tb  Tb0  1  0.750  0.819  0.056  1.0
  Tb  Tb1  1  0.250  0.681  0.556  1.0
  Tb  Tb2  1  0.750  0.319  0.444  1.0
  Tb  Tb3  1  0.250  0.181  0.944  1.0
  Tb  Tb4  1  0.750  0.468  0.785  1.0
  Tb  Tb5  1  0.250  0.032  0.285  1.0
  Tb  Tb6  1  0.750  0.968  0.715  1.0
  Tb  Tb7  1  0.250  0.532  0.215  1.0
  Re  Re8  1  0.750  0.277  0.136  1.0
  Re  Re9  1  0.250  0.223  0.636  1.0
  Re  Re10  1  0.750  0.777  0.364  1.0
  Re  Re11  1  0.250  0.723  0.864  1.0
  C  C12  1  0.750  0.180  0.953  1.0
  C  C13  1  0.250  0.820  0.047  1.0
  C  C14  1  0.750  0.680  0.547  1.0
  C  C15  1  0.250  0.320  0.453  1.0
  C  C16  1  0.750  0.044  0.259  1.0
  C  C17  1  0.250  0.456  0.759  1.0
  C  C18  1  0.750  0.544  0.241  1.0
  C  C19  1  0.250  0.956  0.741  1.0
[/CIF]
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The structure described by Tb2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of edge and corner-sharing TbC5 square pyramids. In the second Tb site, Tb(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. 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 Tb(2), three equivalent Tb(1), and one Re(1) atom to form CTb5Re octahedra that share corners with two equivalent C(2)Tb4Re2 octahedra, corners with four equivalent C(1)Tb5Re octahedra, edges with two equivalent C(1)Tb5Re octahedra, and edges with five equivalent C(2)Tb4Re2 octahedra. The corner-sharing octahedral tilt angles range from 4-40°. In the second C site, C(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Re(1) atoms to form CTb4Re2 octahedra that share corners with two equivalent C(2)Tb4Re2 octahedra, corners with two equivalent C(1)Tb5Re octahedra, edges with two equivalent C(2)Tb4Re2 octahedra, and edges with five equivalent C(1)Tb5Re octahedra. The corner-sharing octahedral tilt angles range from 12-40°. is represented by the CIF file [CIF]
data_Tb2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   6.582
_cell_length_c   9.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.913
_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
  Tb  Tb0  1  0.750  0.819  0.056  1.0
  Tb  Tb1  1  0.250  0.681  0.556  1.0
  Tb  Tb2  1  0.750  0.319  0.444  1.0
  Tb  Tb3  1  0.250  0.181  0.944  1.0
  Tb  Tb4  1  0.750  0.468  0.785  1.0
  Tb  Tb5  1  0.250  0.032  0.285  1.0
  Tb  Tb6  1  0.750  0.968  0.715  1.0
  Tb  Tb7  1  0.250  0.532  0.215  1.0
  Re  Re8  1  0.750  0.277  0.136  1.0
  Re  Re9  1  0.250  0.223  0.636  1.0
  Re  Re10  1  0.750  0.777  0.364  1.0
  Re  Re11  1  0.250  0.723  0.864  1.0
  C  C12  1  0.750  0.180  0.953  1.0
  C  C13  1  0.250  0.820  0.047  1.0
  C  C14  1  0.750  0.680  0.547  1.0
  C  C15  1  0.250  0.320  0.453  1.0
  C  C16  1  0.750  0.044  0.259  1.0
  C  C17  1  0.250  0.456  0.759  1.0
  C  C18  1  0.750  0.544  0.241  1.0
  C  C19  1  0.250  0.956  0.741  1.0
[/CIF]
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