The material structure described by Lu2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of edge and corner-sharing LuC5 square pyramids. In the second Lu site, Lu(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(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Lu(1), two equivalent Lu(2), and two equivalent Re(1) atoms to form CLu4Re2 octahedra that share corners with two equivalent C(1)Lu4Re2 octahedra, corners with two equivalent C(2)Lu5Re octahedra, edges with two equivalent C(1)Lu4Re2 octahedra, and edges with five equivalent C(2)Lu5Re octahedra. The corner-sharing octahedral tilt angles range from 10-37°. In the second C site, C(2) is bonded to two equivalent Lu(2), three equivalent Lu(1), and one Re(1) atom to form CLu5Re octahedra that share corners with two equivalent C(1)Lu4Re2 octahedra, corners with four equivalent C(2)Lu5Re octahedra, edges with two equivalent C(2)Lu5Re octahedra, and edges with five equivalent C(1)Lu4Re2 octahedra. The corner-sharing octahedral tilt angles range from 2-37°. is represented by the CIF card [CIF]
data_Lu2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.989
_cell_length_b   6.483
_cell_length_c   9.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.000
_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
  Lu  Lu0  1  0.250  0.820  0.943  1.0
  Lu  Lu1  1  0.250  0.320  0.557  1.0
  Lu  Lu2  1  0.750  0.180  0.057  1.0
  Lu  Lu3  1  0.750  0.680  0.443  1.0
  Lu  Lu4  1  0.250  0.467  0.219  1.0
  Lu  Lu5  1  0.250  0.967  0.281  1.0
  Lu  Lu6  1  0.750  0.533  0.781  1.0
  Lu  Lu7  1  0.750  0.033  0.719  1.0
  Re  Re8  1  0.250  0.280  0.869  1.0
  Re  Re9  1  0.250  0.780  0.631  1.0
  Re  Re10  1  0.750  0.720  0.131  1.0
  Re  Re11  1  0.750  0.220  0.369  1.0
  C  C12  1  0.250  0.047  0.741  1.0
  C  C13  1  0.250  0.547  0.759  1.0
  C  C14  1  0.750  0.953  0.259  1.0
  C  C15  1  0.750  0.453  0.241  1.0
  C  C16  1  0.250  0.672  0.444  1.0
  C  C17  1  0.250  0.172  0.056  1.0
  C  C18  1  0.750  0.328  0.556  1.0
  C  C19  1  0.750  0.828  0.944  1.0
[/CIF]
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The material structure described by Lu2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of edge and corner-sharing LuC5 square pyramids. In the second Lu site, Lu(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(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Lu(1), two equivalent Lu(2), and two equivalent Re(1) atoms to form CLu4Re2 octahedra that share corners with two equivalent C(1)Lu4Re2 octahedra, corners with two equivalent C(2)Lu5Re octahedra, edges with two equivalent C(1)Lu4Re2 octahedra, and edges with five equivalent C(2)Lu5Re octahedra. The corner-sharing octahedral tilt angles range from 10-37°. In the second C site, C(2) is bonded to two equivalent Lu(2), three equivalent Lu(1), and one Re(1) atom to form CLu5Re octahedra that share corners with two equivalent C(1)Lu4Re2 octahedra, corners with four equivalent C(2)Lu5Re octahedra, edges with two equivalent C(2)Lu5Re octahedra, and edges with five equivalent C(1)Lu4Re2 octahedra. The corner-sharing octahedral tilt angles range from 2-37°. is represented by the CIF card [CIF]
data_Lu2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.989
_cell_length_b   6.483
_cell_length_c   9.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.000
_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
  Lu  Lu0  1  0.250  0.820  0.943  1.0
  Lu  Lu1  1  0.250  0.320  0.557  1.0
  Lu  Lu2  1  0.750  0.180  0.057  1.0
  Lu  Lu3  1  0.750  0.680  0.443  1.0
  Lu  Lu4  1  0.250  0.467  0.219  1.0
  Lu  Lu5  1  0.250  0.967  0.281  1.0
  Lu  Lu6  1  0.750  0.533  0.781  1.0
  Lu  Lu7  1  0.750  0.033  0.719  1.0
  Re  Re8  1  0.250  0.280  0.869  1.0
  Re  Re9  1  0.250  0.780  0.631  1.0
  Re  Re10  1  0.750  0.720  0.131  1.0
  Re  Re11  1  0.750  0.220  0.369  1.0
  C  C12  1  0.250  0.047  0.741  1.0
  C  C13  1  0.250  0.547  0.759  1.0
  C  C14  1  0.750  0.953  0.259  1.0
  C  C15  1  0.750  0.453  0.241  1.0
  C  C16  1  0.250  0.672  0.444  1.0
  C  C17  1  0.250  0.172  0.056  1.0
  C  C18  1  0.750  0.328  0.556  1.0
  C  C19  1  0.750  0.828  0.944  1.0
[/CIF]
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