data_Na2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   146.18
_cell_angle_beta   127.99
_cell_angle_gamma   63.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcP
_chemical_formula_sum   'Na2 Tc1 P1'
_cell_volume   87.34
_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  0.0  0.86  1.0
  Na  Na1  1  0.7  0.0  0.81  1.0
  Tc  Tc3  1  0.0  0.57  0.84  1.0
  P  P2  1  0.0  0.0  0.43  1.0

data_Na2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.14
_cell_length_c   5.86
_cell_angle_alpha   116.0
_cell_angle_beta   106.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcP
_chemical_formula_sum   'Na2 Tc1 P1'
_cell_volume   87.34
_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  0.14  0.14  0.14  1.0
  Na  Na1  1  0.9  0.19  0.9  1.0
  Tc  Tc2  1  0.16  0.73  0.73  1.0
  P  P3  1  0.57  0.57  0.57  1.0

Na Na Tc P
Na Na Tc P 0 1 - o o 2 3 o + + 2 3 o o o 
Na2TcP crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one Na(2), one Tc(1), and one P(1) atom. The Na(1)-Na(2) bond length is 1.56 Å. The Na(1)-Tc(1) bond length is 2.41 Å. The Na(1)-P(1) bond length is 2.52 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one Na(1), three equivalent Tc(1), and two equivalent P(1) atoms. There are a spread of Na(2)-Tc(1) bond distances ranging from 2.42-3.51 Å. There is one shorter (2.92 Å) and one longer (3.27 Å) Na(2)-P(1) bond length. Tc(1) is bonded in a 4-coordinate geometry to one Na(1), three equivalent Na(2), and two equivalent P(1) atoms. There is one shorter (1.90 Å) and one longer (1.97 Å) Tc(1)-P(1) bond length. P(1) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Tc(1) atoms.