The material described by TcAl6 crystallizes in the orthorhombic Cmcm space group. Tc(1) is bonded in a distorted q6 geometry to two equivalent Al(2), four equivalent Al(1), and four equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to two equivalent Tc(1), one Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Tc(1), four equivalent Al(1), and four equivalent Al(2) atoms. In the third Al site, Al(2) is bonded in a 11-coordinate geometry to one Tc(1), two equivalent Al(2), four equivalent Al(1), and four equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_Al6Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   5.001
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.391
_symmetry_Int_Tables_number   1
_cell_volume   222.113
_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
  Al  Al0  1  0.324  0.676  0.000  1.0
  Al  Al1  1  0.676  0.324  0.500  1.0
  Al  Al2  1  0.676  0.324  0.000  1.0
  Al  Al3  1  0.324  0.676  0.500  1.0
  Al  Al4  1  0.134  0.134  0.601  1.0
  Al  Al5  1  0.866  0.866  0.101  1.0
  Al  Al6  1  0.134  0.134  0.899  1.0
  Al  Al7  1  0.866  0.866  0.399  1.0
  Al  Al8  1  0.390  0.027  0.250  1.0
  Al  Al9  1  0.610  0.973  0.750  1.0
  Al  Al10  1  0.027  0.390  0.250  1.0
  Al  Al11  1  0.973  0.610  0.750  1.0
  Tc  Tc12  1  0.542  0.542  0.250  1.0
  Tc  Tc13  1  0.458  0.458  0.750  1.0
[/CIF]
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The material described by TcAl6 crystallizes in the orthorhombic Cmcm space group. Tc(1) is bonded in a distorted q6 geometry to two equivalent Al(2), four equivalent Al(1), and four equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to two equivalent Tc(1), one Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Tc(1), four equivalent Al(1), and four equivalent Al(2) atoms. In the third Al site, Al(2) is bonded in a 11-coordinate geometry to one Tc(1), two equivalent Al(2), four equivalent Al(1), and four equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_Al6Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   5.001
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.391
_symmetry_Int_Tables_number   1
_cell_volume   222.113
_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
  Al  Al0  1  0.324  0.676  0.000  1.0
  Al  Al1  1  0.676  0.324  0.500  1.0
  Al  Al2  1  0.676  0.324  0.000  1.0
  Al  Al3  1  0.324  0.676  0.500  1.0
  Al  Al4  1  0.134  0.134  0.601  1.0
  Al  Al5  1  0.866  0.866  0.101  1.0
  Al  Al6  1  0.134  0.134  0.899  1.0
  Al  Al7  1  0.866  0.866  0.399  1.0
  Al  Al8  1  0.390  0.027  0.250  1.0
  Al  Al9  1  0.610  0.973  0.750  1.0
  Al  Al10  1  0.027  0.390  0.250  1.0
  Al  Al11  1  0.973  0.610  0.750  1.0
  Tc  Tc12  1  0.542  0.542  0.250  1.0
  Tc  Tc13  1  0.458  0.458  0.750  1.0
[/CIF]
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