The material described by Tm2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of edge and corner-sharing TmC5 square pyramids. In the second Tm site, Tm(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 Tm(1), two equivalent Tm(2), and two equivalent Re(1) atoms to form CTm4Re2 octahedra that share corners with two equivalent C(1)Tm4Re2 octahedra, corners with two equivalent C(2)Tm5Re octahedra, edges with two equivalent C(1)Tm4Re2 octahedra, and edges with five equivalent C(2)Tm5Re octahedra. The corner-sharing octahedral tilt angles range from 10-39°. In the second C site, C(2) is bonded to two equivalent Tm(2), three equivalent Tm(1), and one Re(1) atom to form CTm5Re octahedra that share corners with two equivalent C(1)Tm4Re2 octahedra, corners with four equivalent C(2)Tm5Re octahedra, edges with two equivalent C(2)Tm5Re octahedra, and edges with five equivalent C(1)Tm4Re2 octahedra. The corner-sharing octahedral tilt angles range from 3-39°. is represented by the CIF card [CIF]
data_Tm2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   6.517
_cell_length_c   9.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.313
_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
  Tm  Tm0  1  0.250  0.818  0.944  1.0
  Tm  Tm1  1  0.250  0.318  0.556  1.0
  Tm  Tm2  1  0.750  0.182  0.056  1.0
  Tm  Tm3  1  0.750  0.682  0.444  1.0
  Tm  Tm4  1  0.250  0.469  0.218  1.0
  Tm  Tm5  1  0.250  0.969  0.282  1.0
  Tm  Tm6  1  0.750  0.531  0.782  1.0
  Tm  Tm7  1  0.750  0.031  0.718  1.0
  Re  Re8  1  0.250  0.276  0.868  1.0
  Re  Re9  1  0.250  0.776  0.632  1.0
  Re  Re10  1  0.750  0.724  0.132  1.0
  Re  Re11  1  0.750  0.224  0.368  1.0
  C  C12  1  0.250  0.042  0.740  1.0
  C  C13  1  0.250  0.542  0.760  1.0
  C  C14  1  0.750  0.958  0.260  1.0
  C  C15  1  0.750  0.458  0.240  1.0
  C  C16  1  0.250  0.673  0.446  1.0
  C  C17  1  0.250  0.173  0.054  1.0
  C  C18  1  0.750  0.327  0.554  1.0
  C  C19  1  0.750  0.827  0.946  1.0
[/CIF]
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The material described by Tm2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of edge and corner-sharing TmC5 square pyramids. In the second Tm site, Tm(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 Tm(1), two equivalent Tm(2), and two equivalent Re(1) atoms to form CTm4Re2 octahedra that share corners with two equivalent C(1)Tm4Re2 octahedra, corners with two equivalent C(2)Tm5Re octahedra, edges with two equivalent C(1)Tm4Re2 octahedra, and edges with five equivalent C(2)Tm5Re octahedra. The corner-sharing octahedral tilt angles range from 10-39°. In the second C site, C(2) is bonded to two equivalent Tm(2), three equivalent Tm(1), and one Re(1) atom to form CTm5Re octahedra that share corners with two equivalent C(1)Tm4Re2 octahedra, corners with four equivalent C(2)Tm5Re octahedra, edges with two equivalent C(2)Tm5Re octahedra, and edges with five equivalent C(1)Tm4Re2 octahedra. The corner-sharing octahedral tilt angles range from 3-39°. is represented by the CIF card [CIF]
data_Tm2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   6.517
_cell_length_c   9.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.313
_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
  Tm  Tm0  1  0.250  0.818  0.944  1.0
  Tm  Tm1  1  0.250  0.318  0.556  1.0
  Tm  Tm2  1  0.750  0.182  0.056  1.0
  Tm  Tm3  1  0.750  0.682  0.444  1.0
  Tm  Tm4  1  0.250  0.469  0.218  1.0
  Tm  Tm5  1  0.250  0.969  0.282  1.0
  Tm  Tm6  1  0.750  0.531  0.782  1.0
  Tm  Tm7  1  0.750  0.031  0.718  1.0
  Re  Re8  1  0.250  0.276  0.868  1.0
  Re  Re9  1  0.250  0.776  0.632  1.0
  Re  Re10  1  0.750  0.724  0.132  1.0
  Re  Re11  1  0.750  0.224  0.368  1.0
  C  C12  1  0.250  0.042  0.740  1.0
  C  C13  1  0.250  0.542  0.760  1.0
  C  C14  1  0.750  0.958  0.260  1.0
  C  C15  1  0.750  0.458  0.240  1.0
  C  C16  1  0.250  0.673  0.446  1.0
  C  C17  1  0.250  0.173  0.054  1.0
  C  C18  1  0.750  0.327  0.554  1.0
  C  C19  1  0.750  0.827  0.946  1.0
[/CIF]
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