data_MgAl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.21
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Tc
_chemical_formula_sum   'Mg1 Al2 Tc1'
_cell_volume   63.05
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.58  0.6  0.3  1.0
  Al  Al1  1  0.61  0.6  0.74  1.0
  Tc  Tc3  1  0.97  0.0  0.02  1.0

data_MgAl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.26
_cell_length_c   6.04
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Tc
_chemical_formula_sum   'Mg1 Al2 Tc1'
_cell_volume   63.05
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.4  0.39  0.26  1.0
  Al  Al2  1  0.4  0.42  0.7  1.0
  Tc  Tc3  1  0.0  0.03  0.98  1.0

Mg Al Al Tc
Mg Al Al Tc 0 3 - o o 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 2 o - - 0 2 - o - 0 2 - - - 1 3 - o o 1 3 - + o 1 3 o o o 1 3 o + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 - + + 2 3 o o + 2 3 o + + 
MgTcAl2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Tc(1) and four equivalent Al(2) atoms. The Mg(1)-Tc(1) bond length is 0.16 Å. There are a spread of Mg(1)-Al(2) bond distances ranging from 2.37-3.18 Å. Tc(1) is bonded in a single-bond geometry to one Mg(1), one Al(1), and two equivalent Al(2) atoms. The Tc(1)-Al(1) bond length is 2.46 Å. There is one shorter (2.39 Å) and one longer (2.80 Å) Tc(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 1-coordinate geometry to one Tc(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 2.70 Å. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to four equivalent Mg(1), two equivalent Tc(1), and one Al(1) atom.