The material structure described by Tm4C7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 9-coordinate geometry to one C(4), two equivalent C(1), three equivalent C(2), and three equivalent C(3) atoms. In the second Tm site, Tm(2) is bonded to one C(2), one C(3), two equivalent C(4), and three equivalent C(1) atoms to form distorted TmC7 octahedra that share corners with two equivalent Tm(2)C7 octahedra,  a cornercorner with one C(2)Tm4C trigonal bipyramid, and edges with five equivalent Tm(2)C7 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Tm(1), three equivalent Tm(2), and one C(3) atom. In the second C site, C(2) is bonded to one Tm(2), three equivalent Tm(1), and one C(3) atom to form distorted CTm4C trigonal bipyramids that share  a cornercorner with one Tm(2)C7 octahedra,  a cornercorner with one C(4)Tm6 octahedra, corners with six equivalent C(2)Tm4C trigonal bipyramids, and edges with two equivalent C(4)Tm6 octahedra. The corner-sharing octahedral tilt angles range from 32-61°. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Tm(2), three equivalent Tm(1), one C(1), and one C(2) atom. In the fourth C site, C(4) is bonded to two equivalent Tm(1) and four equivalent Tm(2) atoms to form CTm6 octahedra that share corners with two equivalent C(2)Tm4C trigonal bipyramids, edges with two equivalent C(4)Tm6 octahedra, and edges with four equivalent C(2)Tm4C trigonal bipyramids. is represented by the CIF file [CIF]
data_Tm4C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.626
_cell_length_b   6.329
_cell_length_c   13.536
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.042
_symmetry_Int_Tables_number   1
_cell_volume   299.997
_cell_formula_units_Z   2
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  0.944  0.839  0.839  1.0
  Tm  Tm1  1  0.056  0.161  0.161  1.0
  Tm  Tm2  1  0.056  0.661  0.339  1.0
  Tm  Tm3  1  0.944  0.339  0.661  1.0
  Tm  Tm4  1  0.633  0.760  0.555  1.0
  Tm  Tm5  1  0.367  0.240  0.445  1.0
  Tm  Tm6  1  0.367  0.740  0.055  1.0
  Tm  Tm7  1  0.633  0.260  0.945  1.0
  C  C8  1  0.733  0.950  0.396  1.0
  C  C9  1  0.267  0.050  0.604  1.0
  C  C10  1  0.267  0.550  0.896  1.0
  C  C11  1  0.733  0.450  0.104  1.0
  C  C12  1  0.535  0.576  0.715  1.0
  C  C13  1  0.465  0.424  0.285  1.0
  C  C14  1  0.465  0.924  0.215  1.0
  C  C15  1  0.535  0.076  0.785  1.0
  C  C16  1  0.622  0.955  0.303  1.0
  C  C17  1  0.378  0.045  0.697  1.0
  C  C18  1  0.378  0.545  0.803  1.0
  C  C19  1  0.622  0.455  0.197  1.0
  C  C20  1  0.000  0.000  0.000  1.0
  C  C21  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Tm4C7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 9-coordinate geometry to one C(4), two equivalent C(1), three equivalent C(2), and three equivalent C(3) atoms. In the second Tm site, Tm(2) is bonded to one C(2), one C(3), two equivalent C(4), and three equivalent C(1) atoms to form distorted TmC7 octahedra that share corners with two equivalent Tm(2)C7 octahedra,  a cornercorner with one C(2)Tm4C trigonal bipyramid, and edges with five equivalent Tm(2)C7 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Tm(1), three equivalent Tm(2), and one C(3) atom. In the second C site, C(2) is bonded to one Tm(2), three equivalent Tm(1), and one C(3) atom to form distorted CTm4C trigonal bipyramids that share  a cornercorner with one Tm(2)C7 octahedra,  a cornercorner with one C(4)Tm6 octahedra, corners with six equivalent C(2)Tm4C trigonal bipyramids, and edges with two equivalent C(4)Tm6 octahedra. The corner-sharing octahedral tilt angles range from 32-61°. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Tm(2), three equivalent Tm(1), one C(1), and one C(2) atom. In the fourth C site, C(4) is bonded to two equivalent Tm(1) and four equivalent Tm(2) atoms to form CTm6 octahedra that share corners with two equivalent C(2)Tm4C trigonal bipyramids, edges with two equivalent C(4)Tm6 octahedra, and edges with four equivalent C(2)Tm4C trigonal bipyramids. is represented by the CIF file [CIF]
data_Tm4C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.626
_cell_length_b   6.329
_cell_length_c   13.536
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.042
_symmetry_Int_Tables_number   1
_cell_volume   299.997
_cell_formula_units_Z   2
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  0.944  0.839  0.839  1.0
  Tm  Tm1  1  0.056  0.161  0.161  1.0
  Tm  Tm2  1  0.056  0.661  0.339  1.0
  Tm  Tm3  1  0.944  0.339  0.661  1.0
  Tm  Tm4  1  0.633  0.760  0.555  1.0
  Tm  Tm5  1  0.367  0.240  0.445  1.0
  Tm  Tm6  1  0.367  0.740  0.055  1.0
  Tm  Tm7  1  0.633  0.260  0.945  1.0
  C  C8  1  0.733  0.950  0.396  1.0
  C  C9  1  0.267  0.050  0.604  1.0
  C  C10  1  0.267  0.550  0.896  1.0
  C  C11  1  0.733  0.450  0.104  1.0
  C  C12  1  0.535  0.576  0.715  1.0
  C  C13  1  0.465  0.424  0.285  1.0
  C  C14  1  0.465  0.924  0.215  1.0
  C  C15  1  0.535  0.076  0.785  1.0
  C  C16  1  0.622  0.955  0.303  1.0
  C  C17  1  0.378  0.045  0.697  1.0
  C  C18  1  0.378  0.545  0.803  1.0
  C  C19  1  0.622  0.455  0.197  1.0
  C  C20  1  0.000  0.000  0.000  1.0
  C  C21  1  0.000  0.500  0.500  1.0
[/CIF]
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