The material structure described by Tc2P3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 6-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. In the second Tc site, Tc(2) is bonded to one P(3), two equivalent P(1), and three equivalent P(2) atoms to form edge-sharing TcP6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent Tc(1), two equivalent Tc(2), and one P(1) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Tc(2) atoms. In the third P site, P(3) is bonded in a 5-coordinate geometry to one Tc(2), three equivalent Tc(1), and one P(3) atom. is represented by the CIF card [CIF]
data_Tc2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.108
_cell_length_b   6.359
_cell_length_c   7.716
_cell_angle_alpha   78.930
_cell_angle_beta   78.381
_cell_angle_gamma   75.856
_symmetry_Int_Tables_number   1
_cell_volume   143.205
_cell_formula_units_Z   2
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  0.367  0.412  0.854  1.0
  Tc  Tc1  1  0.633  0.588  0.146  1.0
  Tc  Tc2  1  0.250  0.863  0.637  1.0
  Tc  Tc3  1  0.750  0.137  0.363  1.0
  P  P4  1  0.098  0.434  0.371  1.0
  P  P5  1  0.902  0.566  0.629  1.0
  P  P6  1  0.410  0.857  0.323  1.0
  P  P7  1  0.590  0.143  0.677  1.0
  P  P8  1  0.890  0.181  0.039  1.0
  P  P9  1  0.110  0.819  0.961  1.0
[/CIF]
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The material structure described by Tc2P3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 6-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. In the second Tc site, Tc(2) is bonded to one P(3), two equivalent P(1), and three equivalent P(2) atoms to form edge-sharing TcP6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent Tc(1), two equivalent Tc(2), and one P(1) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Tc(2) atoms. In the third P site, P(3) is bonded in a 5-coordinate geometry to one Tc(2), three equivalent Tc(1), and one P(3) atom. is represented by the CIF card [CIF]
data_Tc2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.108
_cell_length_b   6.359
_cell_length_c   7.716
_cell_angle_alpha   78.930
_cell_angle_beta   78.381
_cell_angle_gamma   75.856
_symmetry_Int_Tables_number   1
_cell_volume   143.205
_cell_formula_units_Z   2
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  0.367  0.412  0.854  1.0
  Tc  Tc1  1  0.633  0.588  0.146  1.0
  Tc  Tc2  1  0.250  0.863  0.637  1.0
  Tc  Tc3  1  0.750  0.137  0.363  1.0
  P  P4  1  0.098  0.434  0.371  1.0
  P  P5  1  0.902  0.566  0.629  1.0
  P  P6  1  0.410  0.857  0.323  1.0
  P  P7  1  0.590  0.143  0.677  1.0
  P  P8  1  0.890  0.181  0.039  1.0
  P  P9  1  0.110  0.819  0.961  1.0
[/CIF]
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