The structure described by MoTc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Tc(2) and eight equivalent Tc(1) atoms to form MoTc12 cuboctahedra that share corners with four equivalent Mo(1)Tc12 cuboctahedra, corners with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with six equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to four equivalent Mo(1), four equivalent Tc(1), and four equivalent Tc(2) atoms to form TcTc8Mo4 cuboctahedra that share corners with twelve equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with ten equivalent Tc(1)Tc8Mo4 cuboctahedra. In the second Tc site, Tc(2) is bonded to four equivalent Mo(1) and eight equivalent Tc(1) atoms to form TcTc8Mo4 cuboctahedra that share corners with four equivalent Tc(2)Tc8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with six equivalent Mo(1)Tc12 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tc3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.790
_cell_length_b   4.790
_cell_length_c   4.790
_cell_angle_alpha   131.700
_cell_angle_beta   131.700
_cell_angle_gamma   70.704
_symmetry_Int_Tables_number   1
_cell_volume   60.019
_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
  Tc  Tc0  1  0.750  0.250  0.500  1.0
  Tc  Tc1  1  0.250  0.750  0.500  1.0
  Tc  Tc2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by MoTc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Tc(2) and eight equivalent Tc(1) atoms to form MoTc12 cuboctahedra that share corners with four equivalent Mo(1)Tc12 cuboctahedra, corners with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with six equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to four equivalent Mo(1), four equivalent Tc(1), and four equivalent Tc(2) atoms to form TcTc8Mo4 cuboctahedra that share corners with twelve equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(1)Tc8Mo4 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with four equivalent Mo(1)Tc12 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, and faces with ten equivalent Tc(1)Tc8Mo4 cuboctahedra. In the second Tc site, Tc(2) is bonded to four equivalent Mo(1) and eight equivalent Tc(1) atoms to form TcTc8Mo4 cuboctahedra that share corners with four equivalent Tc(2)Tc8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Tc12 cuboctahedra, edges with eight equivalent Tc(2)Tc8Mo4 cuboctahedra, edges with sixteen equivalent Tc(1)Tc8Mo4 cuboctahedra, faces with four equivalent Tc(2)Tc8Mo4 cuboctahedra, faces with six equivalent Mo(1)Tc12 cuboctahedra, and faces with eight equivalent Tc(1)Tc8Mo4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tc3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.790
_cell_length_b   4.790
_cell_length_c   4.790
_cell_angle_alpha   131.700
_cell_angle_beta   131.700
_cell_angle_gamma   70.704
_symmetry_Int_Tables_number   1
_cell_volume   60.019
_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
  Tc  Tc0  1  0.750  0.250  0.500  1.0
  Tc  Tc1  1  0.250  0.750  0.500  1.0
  Tc  Tc2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
[/CIF]
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