data_NaHfMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   150.16
_cell_angle_beta   131.63
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfMn2
_chemical_formula_sum   'Na1 Hf1 Mn2'
_cell_volume   72.86
_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
  Na  Na3  1  0.0  0.0  0.92  1.0
  Hf  Hf0  1  0.0  0.38  0.74  1.0
  Mn  Mn1  1  0.0  0.0  0.19  1.0
  Mn  Mn2  1  0.5  0.0  0.34  1.0

data_NaHfMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.77
_cell_length_c   5.82
_cell_angle_alpha   114.18
_cell_angle_beta   104.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfMn2
_chemical_formula_sum   'Na1 Hf1 Mn2'
_cell_volume   72.86
_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
  Na  Na0  1  0.0  0.92  0.92  1.0
  Hf  Hf1  1  0.62  0.35  0.35  1.0
  Mn  Mn2  1  0.0  0.19  0.19  1.0
  Mn  Mn3  1  0.0  0.34  0.84  1.0

Na Hf Mn Mn
NaHfMn2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 1-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. The Na(1)-Mn(1) bond length is 1.58 Å. There is one shorter (2.23 Å) and one longer (2.63 Å) Na(1)-Mn(2) bond length. Hf(1) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and two equivalent Mn(1) atoms. The Hf(1)-Mn(2) bond length is 2.80 Å. There is one shorter (1.65 Å) and one longer (1.84 Å) Hf(1)-Mn(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Hf(1) atoms. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Hf(1) atom.