data_Mn2AlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   132.96
_cell_angle_beta   132.96
_cell_angle_gamma   68.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlRu
_chemical_formula_sum   'Mn2 Al1 Ru1'
_cell_volume   52.15
_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
  Mn  Mn1  1  0.85  0.0  0.91  1.0
  Mn  Mn2  1  0.0  0.85  0.91  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.82  1.0

data_Mn2AlRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   124.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AlRu
_chemical_formula_sum   'Mn4 Al2 Ru2'
_cell_volume   104.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  4  0.01  0.08  0.94  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.18  0.0  0.18  1.0

Mn Mn Al Ru
Mn Mn Al Ru 0 2 + o + 1 2 o + + 2 3 o o - 
Mn2RuAl is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mn2RuAl clusters. Mn(1) is bonded in a single-bond geometry to one Al(1) atom. The Mn(1)-Al(1) bond length is 0.52 Å. Ru(1) is bonded in a distorted single-bond geometry to one Al(1) atom. The Ru(1)-Al(1) bond length is 0.83 Å. Al(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Ru(1) atom.