The structure described by Ta10MoSi2Se8 crystallizes in the orthorhombic Pnnm space group. There are five inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Si(1), one Se(3), and two equivalent Se(1) atoms. In the second Ta site, Ta(2) is bonded in a 7-coordinate geometry to two equivalent Mo(1), two equivalent Si(1), one Se(1), and two equivalent Se(2) atoms. In the third Ta site, Ta(3) is bonded in a 5-coordinate geometry to one Si(1), one Se(1), one Se(3), and two equivalent Se(4) atoms. In the fourth Ta site, Ta(4) is bonded in a 7-coordinate geometry to two equivalent Mo(1), two equivalent Si(1), one Se(4), and two equivalent Se(2) atoms. In the fifth Ta site, Ta(5) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Se(1), and two equivalent Se(3) atoms. Mo(1) is bonded to four equivalent Ta(2), four equivalent Ta(4), two equivalent Si(1), and two equivalent Se(2) atoms to form face-sharing MoTa8Si2Se2 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to one Ta(3), one Ta(5), two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(4), and one Mo(1) atom. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to one Ta(1), one Ta(3), and two equivalent Ta(5) atoms. In the second Se site, Se(4) is bonded in a distorted T-shaped geometry to one Ta(4) and two equivalent Ta(3) atoms. In the third Se site, Se(1) is bonded in a 6-coordinate geometry to one Ta(2), one Ta(3), two equivalent Ta(1), and two equivalent Ta(5) atoms. In the fourth Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Ta(2), two equivalent Ta(4), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Ta10Si2MoSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.493
_cell_length_b   11.937
_cell_length_c   19.497
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.892
_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
  Ta  Ta0  1  0.000  0.339  0.213  1.0
  Ta  Ta1  1  0.000  0.661  0.787  1.0
  Ta  Ta2  1  0.500  0.161  0.713  1.0
  Ta  Ta3  1  0.500  0.839  0.287  1.0
  Ta  Ta4  1  0.000  0.563  0.113  1.0
  Ta  Ta5  1  0.000  0.437  0.887  1.0
  Ta  Ta6  1  0.500  0.937  0.613  1.0
  Ta  Ta7  1  0.500  0.063  0.387  1.0
  Ta  Ta8  1  0.000  0.321  0.645  1.0
  Ta  Ta9  1  0.000  0.679  0.355  1.0
  Ta  Ta10  1  0.500  0.179  0.145  1.0
  Ta  Ta11  1  0.500  0.821  0.855  1.0
  Ta  Ta12  1  0.000  0.323  0.047  1.0
  Ta  Ta13  1  0.000  0.677  0.953  1.0
  Ta  Ta14  1  0.500  0.177  0.547  1.0
  Ta  Ta15  1  0.500  0.823  0.453  1.0
  Ta  Ta16  1  0.000  0.048  0.259  1.0
  Ta  Ta17  1  0.000  0.952  0.741  1.0
  Ta  Ta18  1  0.500  0.452  0.759  1.0
  Ta  Ta19  1  0.500  0.548  0.241  1.0
  Si  Si20  1  0.000  0.092  0.628  1.0
  Si  Si21  1  0.000  0.908  0.372  1.0
  Si  Si22  1  0.500  0.408  0.128  1.0
  Si  Si23  1  0.500  0.592  0.872  1.0
  Mo  Mo24  1  0.000  0.000  0.500  1.0
  Mo  Mo25  1  0.500  0.500  0.000  1.0
  Se  Se26  1  0.000  0.716  0.212  1.0
  Se  Se27  1  0.000  0.284  0.788  1.0
  Se  Se28  1  0.500  0.784  0.712  1.0
  Se  Se29  1  0.500  0.216  0.288  1.0
  Se  Se30  1  0.000  0.211  0.444  1.0
  Se  Se31  1  0.000  0.789  0.556  1.0
  Se  Se32  1  0.500  0.289  0.944  1.0
  Se  Se33  1  0.500  0.711  0.056  1.0
  Se  Se34  1  0.000  0.460  0.327  1.0
  Se  Se35  1  0.000  0.540  0.673  1.0
  Se  Se36  1  0.500  0.040  0.827  1.0
  Se  Se37  1  0.500  0.960  0.173  1.0
  Se  Se38  1  0.000  0.109  0.053  1.0
  Se  Se39  1  0.000  0.891  0.947  1.0
  Se  Se40  1  0.500  0.391  0.553  1.0
  Se  Se41  1  0.500  0.609  0.447  1.0
[/CIF]
.
The structure described by Ta10MoSi2Se8 crystallizes in the orthorhombic Pnnm space group. There are five inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Si(1), one Se(3), and two equivalent Se(1) atoms. In the second Ta site, Ta(2) is bonded in a 7-coordinate geometry to two equivalent Mo(1), two equivalent Si(1), one Se(1), and two equivalent Se(2) atoms. In the third Ta site, Ta(3) is bonded in a 5-coordinate geometry to one Si(1), one Se(1), one Se(3), and two equivalent Se(4) atoms. In the fourth Ta site, Ta(4) is bonded in a 7-coordinate geometry to two equivalent Mo(1), two equivalent Si(1), one Se(4), and two equivalent Se(2) atoms. In the fifth Ta site, Ta(5) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Se(1), and two equivalent Se(3) atoms. Mo(1) is bonded to four equivalent Ta(2), four equivalent Ta(4), two equivalent Si(1), and two equivalent Se(2) atoms to form face-sharing MoTa8Si2Se2 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to one Ta(3), one Ta(5), two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(4), and one Mo(1) atom. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to one Ta(1), one Ta(3), and two equivalent Ta(5) atoms. In the second Se site, Se(4) is bonded in a distorted T-shaped geometry to one Ta(4) and two equivalent Ta(3) atoms. In the third Se site, Se(1) is bonded in a 6-coordinate geometry to one Ta(2), one Ta(3), two equivalent Ta(1), and two equivalent Ta(5) atoms. In the fourth Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Ta(2), two equivalent Ta(4), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Ta10Si2MoSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.493
_cell_length_b   11.937
_cell_length_c   19.497
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.892
_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
  Ta  Ta0  1  0.000  0.339  0.213  1.0
  Ta  Ta1  1  0.000  0.661  0.787  1.0
  Ta  Ta2  1  0.500  0.161  0.713  1.0
  Ta  Ta3  1  0.500  0.839  0.287  1.0
  Ta  Ta4  1  0.000  0.563  0.113  1.0
  Ta  Ta5  1  0.000  0.437  0.887  1.0
  Ta  Ta6  1  0.500  0.937  0.613  1.0
  Ta  Ta7  1  0.500  0.063  0.387  1.0
  Ta  Ta8  1  0.000  0.321  0.645  1.0
  Ta  Ta9  1  0.000  0.679  0.355  1.0
  Ta  Ta10  1  0.500  0.179  0.145  1.0
  Ta  Ta11  1  0.500  0.821  0.855  1.0
  Ta  Ta12  1  0.000  0.323  0.047  1.0
  Ta  Ta13  1  0.000  0.677  0.953  1.0
  Ta  Ta14  1  0.500  0.177  0.547  1.0
  Ta  Ta15  1  0.500  0.823  0.453  1.0
  Ta  Ta16  1  0.000  0.048  0.259  1.0
  Ta  Ta17  1  0.000  0.952  0.741  1.0
  Ta  Ta18  1  0.500  0.452  0.759  1.0
  Ta  Ta19  1  0.500  0.548  0.241  1.0
  Si  Si20  1  0.000  0.092  0.628  1.0
  Si  Si21  1  0.000  0.908  0.372  1.0
  Si  Si22  1  0.500  0.408  0.128  1.0
  Si  Si23  1  0.500  0.592  0.872  1.0
  Mo  Mo24  1  0.000  0.000  0.500  1.0
  Mo  Mo25  1  0.500  0.500  0.000  1.0
  Se  Se26  1  0.000  0.716  0.212  1.0
  Se  Se27  1  0.000  0.284  0.788  1.0
  Se  Se28  1  0.500  0.784  0.712  1.0
  Se  Se29  1  0.500  0.216  0.288  1.0
  Se  Se30  1  0.000  0.211  0.444  1.0
  Se  Se31  1  0.000  0.789  0.556  1.0
  Se  Se32  1  0.500  0.289  0.944  1.0
  Se  Se33  1  0.500  0.711  0.056  1.0
  Se  Se34  1  0.000  0.460  0.327  1.0
  Se  Se35  1  0.000  0.540  0.673  1.0
  Se  Se36  1  0.500  0.040  0.827  1.0
  Se  Se37  1  0.500  0.960  0.173  1.0
  Se  Se38  1  0.000  0.109  0.053  1.0
  Se  Se39  1  0.000  0.891  0.947  1.0
  Se  Se40  1  0.500  0.391  0.553  1.0
  Se  Se41  1  0.500  0.609  0.447  1.0
[/CIF]
.