The compound described by TcP3 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. Tc(1) is bonded to one P(2), two equivalent P(3), and three equivalent P(1) atoms to form TcP6 octahedra that share corners with four equivalent Tc(1)P6 octahedra, corners with two equivalent P(1)Tc3P tetrahedra, corners with four equivalent P(3)Tc2P2 tetrahedra, and edges with two equivalent Tc(1)P6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent P sites. In the first P site, P(2) is bonded in a distorted rectangular see-saw-like geometry to one Tc(1), one P(3), and two equivalent P(2) atoms. In the second P site, P(1) is bonded to three equivalent Tc(1) and one P(3) atom to form PTc3P tetrahedra that share corners with two equivalent Tc(1)P6 octahedra, corners with four equivalent P(3)Tc2P2 tetrahedra, corners with six equivalent P(1)Tc3P tetrahedra, and  an edgeedge with one P(3)Tc2P2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the third P site, P(3) is bonded to two equivalent Tc(1), one P(1), and one P(2) atom to form distorted PTc2P2 tetrahedra that share corners with four equivalent Tc(1)P6 octahedra, corners with two equivalent P(3)Tc2P2 tetrahedra, corners with four equivalent P(1)Tc3P tetrahedra, and  an edgeedge with one P(1)Tc3P tetrahedra. The corner-sharing octahedral tilt angles range from 50-74°. is represented by the CIF file [CIF]
data_TcP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.117
_cell_length_b   5.133
_cell_length_c   15.364
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.859
_cell_formula_units_Z   4
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
  Tc  Tc0  1  0.250  0.351  0.650  1.0
  Tc  Tc1  1  0.750  0.649  0.350  1.0
  Tc  Tc2  1  0.750  0.851  0.850  1.0
  Tc  Tc3  1  0.250  0.149  0.150  1.0
  P  P4  1  0.250  0.522  0.793  1.0
  P  P5  1  0.750  0.478  0.207  1.0
  P  P6  1  0.750  0.022  0.707  1.0
  P  P7  1  0.250  0.978  0.293  1.0
  P  P8  1  0.250  0.353  0.012  1.0
  P  P9  1  0.750  0.647  0.988  1.0
  P  P10  1  0.750  0.853  0.488  1.0
  P  P11  1  0.250  0.147  0.512  1.0
  P  P12  1  0.250  0.321  0.382  1.0
  P  P13  1  0.750  0.679  0.618  1.0
  P  P14  1  0.750  0.821  0.118  1.0
  P  P15  1  0.250  0.179  0.882  1.0
[/CIF]
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The compound described by TcP3 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. Tc(1) is bonded to one P(2), two equivalent P(3), and three equivalent P(1) atoms to form TcP6 octahedra that share corners with four equivalent Tc(1)P6 octahedra, corners with two equivalent P(1)Tc3P tetrahedra, corners with four equivalent P(3)Tc2P2 tetrahedra, and edges with two equivalent Tc(1)P6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent P sites. In the first P site, P(2) is bonded in a distorted rectangular see-saw-like geometry to one Tc(1), one P(3), and two equivalent P(2) atoms. In the second P site, P(1) is bonded to three equivalent Tc(1) and one P(3) atom to form PTc3P tetrahedra that share corners with two equivalent Tc(1)P6 octahedra, corners with four equivalent P(3)Tc2P2 tetrahedra, corners with six equivalent P(1)Tc3P tetrahedra, and  an edgeedge with one P(3)Tc2P2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the third P site, P(3) is bonded to two equivalent Tc(1), one P(1), and one P(2) atom to form distorted PTc2P2 tetrahedra that share corners with four equivalent Tc(1)P6 octahedra, corners with two equivalent P(3)Tc2P2 tetrahedra, corners with four equivalent P(1)Tc3P tetrahedra, and  an edgeedge with one P(1)Tc3P tetrahedra. The corner-sharing octahedral tilt angles range from 50-74°. is represented by the CIF file [CIF]
data_TcP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.117
_cell_length_b   5.133
_cell_length_c   15.364
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.859
_cell_formula_units_Z   4
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
  Tc  Tc0  1  0.250  0.351  0.650  1.0
  Tc  Tc1  1  0.750  0.649  0.350  1.0
  Tc  Tc2  1  0.750  0.851  0.850  1.0
  Tc  Tc3  1  0.250  0.149  0.150  1.0
  P  P4  1  0.250  0.522  0.793  1.0
  P  P5  1  0.750  0.478  0.207  1.0
  P  P6  1  0.750  0.022  0.707  1.0
  P  P7  1  0.250  0.978  0.293  1.0
  P  P8  1  0.250  0.353  0.012  1.0
  P  P9  1  0.750  0.647  0.988  1.0
  P  P10  1  0.750  0.853  0.488  1.0
  P  P11  1  0.250  0.147  0.512  1.0
  P  P12  1  0.250  0.321  0.382  1.0
  P  P13  1  0.750  0.679  0.618  1.0
  P  P14  1  0.750  0.821  0.118  1.0
  P  P15  1  0.250  0.179  0.882  1.0
[/CIF]
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