The structure described by TmZn5 crystallizes in the hexagonal P6_3/mmc space group. Tm(1) is bonded in a 14-coordinate geometry to two equivalent Zn(2), two equivalent Zn(4), four equivalent Zn(3), and six equivalent Zn(5) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to six equivalent Zn(5) atoms. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to three equivalent Tm(1), three equivalent Zn(3), three equivalent Zn(4), and three equivalent Zn(5) atoms. In the third Zn site, Zn(3) is bonded to four equivalent Tm(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(5) atoms to form ZnTm4Zn8 cuboctahedra that share corners with four equivalent Zn(3)Tm4Zn8 cuboctahedra, corners with ten equivalent Zn(5)Tm3Zn9 cuboctahedra, edges with four equivalent Zn(5)Tm3Zn9 cuboctahedra, faces with six equivalent Zn(3)Tm4Zn8 cuboctahedra, and faces with eight equivalent Zn(5)Tm3Zn9 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(5) atoms. In the fifth Zn site, Zn(5) is bonded to three equivalent Tm(1), one Zn(1), one Zn(2), two equivalent Zn(3), two equivalent Zn(4), and three equivalent Zn(5) atoms to form distorted ZnTm3Zn9 cuboctahedra that share corners with five equivalent Zn(3)Tm4Zn8 cuboctahedra, corners with eight equivalent Zn(5)Tm3Zn9 cuboctahedra, edges with two equivalent Zn(3)Tm4Zn8 cuboctahedra, edges with four equivalent Zn(5)Tm3Zn9 cuboctahedra, faces with four equivalent Zn(3)Tm4Zn8 cuboctahedra, and faces with seven equivalent Zn(5)Tm3Zn9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.737
_cell_length_b   8.737
_cell_length_c   8.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   587.294
_cell_formula_units_Z   6
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  0.190  0.810  0.250  1.0
  Tm  Tm1  1  0.190  0.380  0.250  1.0
  Tm  Tm2  1  0.620  0.810  0.250  1.0
  Tm  Tm3  1  0.810  0.190  0.750  1.0
  Tm  Tm4  1  0.810  0.620  0.750  1.0
  Tm  Tm5  1  0.380  0.190  0.750  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.333  0.667  0.484  1.0
  Zn  Zn9  1  0.667  0.333  0.516  1.0
  Zn  Zn10  1  0.667  0.333  0.984  1.0
  Zn  Zn11  1  0.333  0.667  0.016  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.500  1.0
  Zn  Zn14  1  0.000  0.500  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.000  1.0
  Zn  Zn16  1  0.500  0.000  0.000  1.0
  Zn  Zn17  1  0.000  0.500  0.000  1.0
  Zn  Zn18  1  0.568  0.432  0.250  1.0
  Zn  Zn19  1  0.568  0.135  0.250  1.0
  Zn  Zn20  1  0.865  0.432  0.250  1.0
  Zn  Zn21  1  0.432  0.568  0.750  1.0
  Zn  Zn22  1  0.432  0.865  0.750  1.0
  Zn  Zn23  1  0.135  0.568  0.750  1.0
  Zn  Zn24  1  0.840  0.160  0.407  1.0
  Zn  Zn25  1  0.840  0.679  0.407  1.0
  Zn  Zn26  1  0.321  0.160  0.407  1.0
  Zn  Zn27  1  0.160  0.840  0.593  1.0
  Zn  Zn28  1  0.160  0.321  0.593  1.0
  Zn  Zn29  1  0.679  0.840  0.593  1.0
  Zn  Zn30  1  0.160  0.840  0.907  1.0
  Zn  Zn31  1  0.160  0.321  0.907  1.0
  Zn  Zn32  1  0.679  0.840  0.907  1.0
  Zn  Zn33  1  0.840  0.160  0.093  1.0
  Zn  Zn34  1  0.840  0.679  0.093  1.0
  Zn  Zn35  1  0.321  0.160  0.093  1.0
[/CIF]
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The structure described by TmZn5 crystallizes in the hexagonal P6_3/mmc space group. Tm(1) is bonded in a 14-coordinate geometry to two equivalent Zn(2), two equivalent Zn(4), four equivalent Zn(3), and six equivalent Zn(5) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to six equivalent Zn(5) atoms. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to three equivalent Tm(1), three equivalent Zn(3), three equivalent Zn(4), and three equivalent Zn(5) atoms. In the third Zn site, Zn(3) is bonded to four equivalent Tm(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(5) atoms to form ZnTm4Zn8 cuboctahedra that share corners with four equivalent Zn(3)Tm4Zn8 cuboctahedra, corners with ten equivalent Zn(5)Tm3Zn9 cuboctahedra, edges with four equivalent Zn(5)Tm3Zn9 cuboctahedra, faces with six equivalent Zn(3)Tm4Zn8 cuboctahedra, and faces with eight equivalent Zn(5)Tm3Zn9 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(5) atoms. In the fifth Zn site, Zn(5) is bonded to three equivalent Tm(1), one Zn(1), one Zn(2), two equivalent Zn(3), two equivalent Zn(4), and three equivalent Zn(5) atoms to form distorted ZnTm3Zn9 cuboctahedra that share corners with five equivalent Zn(3)Tm4Zn8 cuboctahedra, corners with eight equivalent Zn(5)Tm3Zn9 cuboctahedra, edges with two equivalent Zn(3)Tm4Zn8 cuboctahedra, edges with four equivalent Zn(5)Tm3Zn9 cuboctahedra, faces with four equivalent Zn(3)Tm4Zn8 cuboctahedra, and faces with seven equivalent Zn(5)Tm3Zn9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.737
_cell_length_b   8.737
_cell_length_c   8.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   587.294
_cell_formula_units_Z   6
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  0.190  0.810  0.250  1.0
  Tm  Tm1  1  0.190  0.380  0.250  1.0
  Tm  Tm2  1  0.620  0.810  0.250  1.0
  Tm  Tm3  1  0.810  0.190  0.750  1.0
  Tm  Tm4  1  0.810  0.620  0.750  1.0
  Tm  Tm5  1  0.380  0.190  0.750  1.0
  Zn  Zn6  1  0.000  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.333  0.667  0.484  1.0
  Zn  Zn9  1  0.667  0.333  0.516  1.0
  Zn  Zn10  1  0.667  0.333  0.984  1.0
  Zn  Zn11  1  0.333  0.667  0.016  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.500  1.0
  Zn  Zn14  1  0.000  0.500  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.000  1.0
  Zn  Zn16  1  0.500  0.000  0.000  1.0
  Zn  Zn17  1  0.000  0.500  0.000  1.0
  Zn  Zn18  1  0.568  0.432  0.250  1.0
  Zn  Zn19  1  0.568  0.135  0.250  1.0
  Zn  Zn20  1  0.865  0.432  0.250  1.0
  Zn  Zn21  1  0.432  0.568  0.750  1.0
  Zn  Zn22  1  0.432  0.865  0.750  1.0
  Zn  Zn23  1  0.135  0.568  0.750  1.0
  Zn  Zn24  1  0.840  0.160  0.407  1.0
  Zn  Zn25  1  0.840  0.679  0.407  1.0
  Zn  Zn26  1  0.321  0.160  0.407  1.0
  Zn  Zn27  1  0.160  0.840  0.593  1.0
  Zn  Zn28  1  0.160  0.321  0.593  1.0
  Zn  Zn29  1  0.679  0.840  0.593  1.0
  Zn  Zn30  1  0.160  0.840  0.907  1.0
  Zn  Zn31  1  0.160  0.321  0.907  1.0
  Zn  Zn32  1  0.679  0.840  0.907  1.0
  Zn  Zn33  1  0.840  0.160  0.093  1.0
  Zn  Zn34  1  0.840  0.679  0.093  1.0
  Zn  Zn35  1  0.321  0.160  0.093  1.0
[/CIF]
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