data_Fe2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcP
_chemical_formula_sum   'Fe2 Tc1 P1'
_cell_volume   48.56
_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
  Fe  Fe0  1  0.0  0.0  0.14  1.0
  Fe  Fe1  1  0.47  0.47  0.43  1.0
  Tc  Tc3  1  0.47  0.47  0.09  1.0
  P  P2  1  0.0  0.0  0.73  1.0

data_Fe2TcP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2TcP
_chemical_formula_sum   'Fe4 Tc2 P2'
_cell_volume   97.12
_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
  Fe  Fe0  2  0.0  0.0  0.14  1.0
  Fe  Fe1  2  0.47  0.0  0.43  1.0
  Tc  Tc2  2  0.47  0.0  0.09  1.0
  P  P3  2  0.0  0.0  0.73  1.0

Fe Fe Tc P
TcFe2P crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a 5-coordinate geometry to one Fe(2), four equivalent Fe(1), and four equivalent P(1) atoms. The Tc(1)-Fe(2) bond length is 1.88 Å. There are a spread of Tc(1)-Fe(1) bond distances ranging from 1.99-2.21 Å. There are a spread of Tc(1)-P(1) bond distances ranging from 2.83-2.99 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Tc(1) and one P(1) atom to form a mixture of distorted corner and edge-sharing FeTc4P square pyramids. The Fe(1)-P(1) bond length is 2.30 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Tc(1) and four equivalent P(1) atoms. There are a spread of Fe(2)-P(1) bond distances ranging from 2.60-2.77 Å. P(1) is bonded in a 9-coordinate geometry to four equivalent Tc(1), one Fe(1), and four equivalent Fe(2) atoms.