The material structure described by Tm2Zn17 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 18-coordinate geometry to six equivalent Zn(3) and twelve equivalent Zn(4) atoms. In the second Tm site, Tm(2) is bonded in a 20-coordinate geometry to two equivalent Zn(1), six equivalent Zn(2), six equivalent Zn(3), and six equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to one Tm(2), one Zn(1), three equivalent Zn(2), three equivalent Zn(4), and six equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Tm(2), two equivalent Zn(1), four equivalent Zn(3), and four equivalent Zn(4) atoms to form ZnTm2Zn10 cuboctahedra that share corners with four equivalent Zn(2)Tm2Zn10 cuboctahedra, corners with ten equivalent Zn(4)Tm3Zn9 cuboctahedra, edges with six equivalent Zn(4)Tm3Zn9 cuboctahedra, faces with four equivalent Zn(4)Tm3Zn9 cuboctahedra, and faces with six equivalent Zn(2)Tm2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 12-coordinate geometry to one Tm(1), one Tm(2), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(4) atoms. In the fourth Zn site, Zn(4) is bonded to one Tm(2), two equivalent Tm(1), one Zn(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(3) atoms to form distorted ZnTm3Zn9 cuboctahedra that share corners with five equivalent Zn(2)Tm2Zn10 cuboctahedra, corners with ten equivalent Zn(4)Tm3Zn9 cuboctahedra, edges with three equivalent Zn(2)Tm2Zn10 cuboctahedra, edges with five equivalent Zn(4)Tm3Zn9 cuboctahedra, faces with two equivalent Zn(2)Tm2Zn10 cuboctahedra, and faces with eight equivalent Zn(4)Tm3Zn9 cuboctahedra. is represented by the CIF file [CIF]
data_Tm2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.009
_cell_length_b   9.009
_cell_length_c   8.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   610.961
_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  0.000  0.000  0.250  1.0
  Tm  Tm1  1  0.000  0.000  0.750  1.0
  Tm  Tm2  1  0.333  0.667  0.750  1.0
  Tm  Tm3  1  0.667  0.333  0.250  1.0
  Zn  Zn4  1  0.333  0.667  0.403  1.0
  Zn  Zn5  1  0.667  0.333  0.597  1.0
  Zn  Zn6  1  0.667  0.333  0.903  1.0
  Zn  Zn7  1  0.333  0.667  0.097  1.0
  Zn  Zn8  1  0.500  0.500  0.500  1.0
  Zn  Zn9  1  0.500  0.000  0.500  1.0
  Zn  Zn10  1  0.000  0.500  0.500  1.0
  Zn  Zn11  1  0.500  0.500  0.000  1.0
  Zn  Zn12  1  0.500  0.000  0.000  1.0
  Zn  Zn13  1  0.000  0.500  0.000  1.0
  Zn  Zn14  1  0.329  0.360  0.250  1.0
  Zn  Zn15  1  0.640  0.969  0.250  1.0
  Zn  Zn16  1  0.031  0.671  0.250  1.0
  Zn  Zn17  1  0.640  0.671  0.250  1.0
  Zn  Zn18  1  0.031  0.360  0.250  1.0
  Zn  Zn19  1  0.329  0.969  0.250  1.0
  Zn  Zn20  1  0.671  0.640  0.750  1.0
  Zn  Zn21  1  0.360  0.031  0.750  1.0
  Zn  Zn22  1  0.969  0.329  0.750  1.0
  Zn  Zn23  1  0.360  0.329  0.750  1.0
  Zn  Zn24  1  0.969  0.640  0.750  1.0
  Zn  Zn25  1  0.671  0.031  0.750  1.0
  Zn  Zn26  1  0.161  0.839  0.517  1.0
  Zn  Zn27  1  0.161  0.323  0.517  1.0
  Zn  Zn28  1  0.677  0.839  0.517  1.0
  Zn  Zn29  1  0.839  0.161  0.483  1.0
  Zn  Zn30  1  0.839  0.677  0.483  1.0
  Zn  Zn31  1  0.323  0.161  0.483  1.0
  Zn  Zn32  1  0.839  0.161  0.017  1.0
  Zn  Zn33  1  0.839  0.677  0.017  1.0
  Zn  Zn34  1  0.323  0.161  0.017  1.0
  Zn  Zn35  1  0.161  0.839  0.983  1.0
  Zn  Zn36  1  0.161  0.323  0.983  1.0
  Zn  Zn37  1  0.677  0.839  0.983  1.0
[/CIF]
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The material structure described by Tm2Zn17 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 18-coordinate geometry to six equivalent Zn(3) and twelve equivalent Zn(4) atoms. In the second Tm site, Tm(2) is bonded in a 20-coordinate geometry to two equivalent Zn(1), six equivalent Zn(2), six equivalent Zn(3), and six equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to one Tm(2), one Zn(1), three equivalent Zn(2), three equivalent Zn(4), and six equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Tm(2), two equivalent Zn(1), four equivalent Zn(3), and four equivalent Zn(4) atoms to form ZnTm2Zn10 cuboctahedra that share corners with four equivalent Zn(2)Tm2Zn10 cuboctahedra, corners with ten equivalent Zn(4)Tm3Zn9 cuboctahedra, edges with six equivalent Zn(4)Tm3Zn9 cuboctahedra, faces with four equivalent Zn(4)Tm3Zn9 cuboctahedra, and faces with six equivalent Zn(2)Tm2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 12-coordinate geometry to one Tm(1), one Tm(2), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(4) atoms. In the fourth Zn site, Zn(4) is bonded to one Tm(2), two equivalent Tm(1), one Zn(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(3) atoms to form distorted ZnTm3Zn9 cuboctahedra that share corners with five equivalent Zn(2)Tm2Zn10 cuboctahedra, corners with ten equivalent Zn(4)Tm3Zn9 cuboctahedra, edges with three equivalent Zn(2)Tm2Zn10 cuboctahedra, edges with five equivalent Zn(4)Tm3Zn9 cuboctahedra, faces with two equivalent Zn(2)Tm2Zn10 cuboctahedra, and faces with eight equivalent Zn(4)Tm3Zn9 cuboctahedra. is represented by the CIF file [CIF]
data_Tm2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.009
_cell_length_b   9.009
_cell_length_c   8.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   610.961
_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  0.000  0.000  0.250  1.0
  Tm  Tm1  1  0.000  0.000  0.750  1.0
  Tm  Tm2  1  0.333  0.667  0.750  1.0
  Tm  Tm3  1  0.667  0.333  0.250  1.0
  Zn  Zn4  1  0.333  0.667  0.403  1.0
  Zn  Zn5  1  0.667  0.333  0.597  1.0
  Zn  Zn6  1  0.667  0.333  0.903  1.0
  Zn  Zn7  1  0.333  0.667  0.097  1.0
  Zn  Zn8  1  0.500  0.500  0.500  1.0
  Zn  Zn9  1  0.500  0.000  0.500  1.0
  Zn  Zn10  1  0.000  0.500  0.500  1.0
  Zn  Zn11  1  0.500  0.500  0.000  1.0
  Zn  Zn12  1  0.500  0.000  0.000  1.0
  Zn  Zn13  1  0.000  0.500  0.000  1.0
  Zn  Zn14  1  0.329  0.360  0.250  1.0
  Zn  Zn15  1  0.640  0.969  0.250  1.0
  Zn  Zn16  1  0.031  0.671  0.250  1.0
  Zn  Zn17  1  0.640  0.671  0.250  1.0
  Zn  Zn18  1  0.031  0.360  0.250  1.0
  Zn  Zn19  1  0.329  0.969  0.250  1.0
  Zn  Zn20  1  0.671  0.640  0.750  1.0
  Zn  Zn21  1  0.360  0.031  0.750  1.0
  Zn  Zn22  1  0.969  0.329  0.750  1.0
  Zn  Zn23  1  0.360  0.329  0.750  1.0
  Zn  Zn24  1  0.969  0.640  0.750  1.0
  Zn  Zn25  1  0.671  0.031  0.750  1.0
  Zn  Zn26  1  0.161  0.839  0.517  1.0
  Zn  Zn27  1  0.161  0.323  0.517  1.0
  Zn  Zn28  1  0.677  0.839  0.517  1.0
  Zn  Zn29  1  0.839  0.161  0.483  1.0
  Zn  Zn30  1  0.839  0.677  0.483  1.0
  Zn  Zn31  1  0.323  0.161  0.483  1.0
  Zn  Zn32  1  0.839  0.161  0.017  1.0
  Zn  Zn33  1  0.839  0.677  0.017  1.0
  Zn  Zn34  1  0.323  0.161  0.017  1.0
  Zn  Zn35  1  0.161  0.839  0.983  1.0
  Zn  Zn36  1  0.161  0.323  0.983  1.0
  Zn  Zn37  1  0.677  0.839  0.983  1.0
[/CIF]
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