The material structure described by Be17Ti2 crystallizes in the trigonal R-3m space group. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded in a 14-coordinate geometry to one Be(1), three equivalent Be(2), three equivalent Be(4), six equivalent Be(3), and one Ti(1) atom. In the second Be site, Be(2) is bonded in a 10-coordinate geometry to two equivalent Be(1), four equivalent Be(3), four equivalent Be(4), and two equivalent Ti(1) atoms. In the third Be site, Be(3) is bonded to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), four equivalent Be(4), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing BeTi2Be10 cuboctahedra. In the fourth Be site, Be(4) is bonded in a 12-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(4), four equivalent Be(3), and three equivalent Ti(1) atoms. Ti(1) is bonded in a 19-coordinate geometry to one Be(1), three equivalent Be(2), six equivalent Be(3), and nine equivalent Be(4) atoms. is represented by the CIF file [CIF]
data_Ti2Be17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   5.548
_cell_length_c   5.548
_cell_angle_alpha   82.876
_cell_angle_beta   82.876
_cell_angle_gamma   82.876
_symmetry_Int_Tables_number   1
_cell_volume   167.106
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.164  0.164  0.164  1.0
  Ti  Ti1  1  0.836  0.836  0.836  1.0
  Be  Be2  1  0.401  0.401  0.401  1.0
  Be  Be3  1  0.599  0.599  0.599  1.0
  Be  Be4  1  0.500  0.500  0.000  1.0
  Be  Be5  1  0.000  0.500  0.500  1.0
  Be  Be6  1  0.500  0.000  0.500  1.0
  Be  Be7  1  0.796  0.500  0.204  1.0
  Be  Be8  1  0.204  0.796  0.500  1.0
  Be  Be9  1  0.500  0.204  0.796  1.0
  Be  Be10  1  0.204  0.500  0.796  1.0
  Be  Be11  1  0.796  0.204  0.500  1.0
  Be  Be12  1  0.500  0.796  0.204  1.0
  Be  Be13  1  0.153  0.660  0.153  1.0
  Be  Be14  1  0.153  0.153  0.660  1.0
  Be  Be15  1  0.660  0.153  0.153  1.0
  Be  Be16  1  0.340  0.847  0.847  1.0
  Be  Be17  1  0.847  0.340  0.847  1.0
  Be  Be18  1  0.847  0.847  0.340  1.0
[/CIF]
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The material structure described by Be17Ti2 crystallizes in the trigonal R-3m space group. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded in a 14-coordinate geometry to one Be(1), three equivalent Be(2), three equivalent Be(4), six equivalent Be(3), and one Ti(1) atom. In the second Be site, Be(2) is bonded in a 10-coordinate geometry to two equivalent Be(1), four equivalent Be(3), four equivalent Be(4), and two equivalent Ti(1) atoms. In the third Be site, Be(3) is bonded to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), four equivalent Be(4), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing BeTi2Be10 cuboctahedra. In the fourth Be site, Be(4) is bonded in a 12-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(4), four equivalent Be(3), and three equivalent Ti(1) atoms. Ti(1) is bonded in a 19-coordinate geometry to one Be(1), three equivalent Be(2), six equivalent Be(3), and nine equivalent Be(4) atoms. is represented by the CIF file [CIF]
data_Ti2Be17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   5.548
_cell_length_c   5.548
_cell_angle_alpha   82.876
_cell_angle_beta   82.876
_cell_angle_gamma   82.876
_symmetry_Int_Tables_number   1
_cell_volume   167.106
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.164  0.164  0.164  1.0
  Ti  Ti1  1  0.836  0.836  0.836  1.0
  Be  Be2  1  0.401  0.401  0.401  1.0
  Be  Be3  1  0.599  0.599  0.599  1.0
  Be  Be4  1  0.500  0.500  0.000  1.0
  Be  Be5  1  0.000  0.500  0.500  1.0
  Be  Be6  1  0.500  0.000  0.500  1.0
  Be  Be7  1  0.796  0.500  0.204  1.0
  Be  Be8  1  0.204  0.796  0.500  1.0
  Be  Be9  1  0.500  0.204  0.796  1.0
  Be  Be10  1  0.204  0.500  0.796  1.0
  Be  Be11  1  0.796  0.204  0.500  1.0
  Be  Be12  1  0.500  0.796  0.204  1.0
  Be  Be13  1  0.153  0.660  0.153  1.0
  Be  Be14  1  0.153  0.153  0.660  1.0
  Be  Be15  1  0.660  0.153  0.153  1.0
  Be  Be16  1  0.340  0.847  0.847  1.0
  Be  Be17  1  0.847  0.340  0.847  1.0
  Be  Be18  1  0.847  0.847  0.340  1.0
[/CIF]
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