The material described by Ta14(CuS8)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one S(14), one S(16), one S(19), one S(21), one S(23), and one S(24) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 43-48°. In the second Ta site, Ta(2) is bonded to one S(14), one S(16), one S(20), one S(22), one S(7), and one S(8) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the third Ta site, Ta(3) is bonded to one S(19), one S(21), one S(23), one S(24), one S(7), and one S(8) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 45-46°. In the fourth Ta site, Ta(4) is bonded to one S(12), one S(13), one S(14), one S(5), one S(6), and one S(7) atom to form a mixture of edge, face, and corner-sharing TaS6 octahedra. In the fifth Ta site, Ta(5) is bonded to one S(13), one S(14), one S(15), one S(16), one S(7), and one S(8) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. In the sixth Ta site, Ta(6) is bonded in a 6-coordinate geometry to one S(13), one S(15), one S(20), one S(22), one S(23), and one S(24) atom. In the seventh Ta site, Ta(7) is bonded to one S(10), one S(12), one S(3), one S(4), one S(5), and one S(6) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 52°. In the eighth Ta site, Ta(8) is bonded to one S(13), one S(15), one S(19), one S(20), one S(21), and one S(22) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. In the ninth Ta site, Ta(9) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(12), one S(2), one S(3), and one S(5) atom. In the tenth Ta site, Ta(10) is bonded to one S(10), one S(11), one S(12), one S(17), one S(18), and one S(9) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 52°. In the eleventh Ta site, Ta(11) is bonded to one S(11), one S(12), one S(13), one S(18), one S(19), and one S(20) atom to form a mixture of edge, face, and corner-sharing TaS6 octahedra. In the twelfth Ta site, Ta(12) is bonded in a 6-coordinate geometry to one S(1), one S(17), one S(18), one S(2), one S(4), and one S(6) atom. In the thirteenth Ta site, Ta(13) is bonded to one S(11), one S(17), one S(18), one S(3), one S(5), and one S(9) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the fourteenth Ta site, Ta(14) is bonded to one S(1), one S(11), one S(2), one S(4), one S(6), and one S(9) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-47°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(15), one S(22), one S(24), and one S(9) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(10), one S(16), and one S(3) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(1), one S(17), one S(21), and one S(4) atom. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ta(12), one Ta(14), one Ta(9), one Cu(2), and one Cu(3) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ta(12), one Ta(14), and one Ta(9) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(13), one Ta(7), one Ta(9), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ta(12), one Ta(14), one Ta(7), and one Cu(3) atom. In the fifth S site, S(5) is bonded to one Ta(13), one Ta(4), one Ta(7), and one Ta(9) atom to form a mixture of edge and corner-sharing STa4 trigonal pyramids. In the sixth S site, S(6) is bonded to one Ta(12), one Ta(14), one Ta(4), and one Ta(7) atom to form a mixture of edge and corner-sharing STa4 trigonal pyramids. In the seventh S site, S(7) is bonded to one Ta(2), one Ta(3), one Ta(4), and one Ta(5) atom to form corner-sharing STa4 trigonal pyramids. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Ta(2), one Ta(3), and one Ta(5) atom. In the ninth S site, S(9) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(13), one Ta(14), and one Cu(1) atom. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(7), one Ta(9), and one Cu(2) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(11), one Ta(13), and one Ta(14) atom. In the twelfth S site, S(12) is bonded in a distorted pentagonal planar geometry to one Ta(10), one Ta(11), one Ta(4), one Ta(7), and one Ta(9) atom. In the thirteenth S site, S(13) is bonded in a distorted pentagonal planar geometry to one Ta(11), one Ta(4), one Ta(5), one Ta(6), and one Ta(8) atom. In the fourteenth S site, S(14) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(2), one Ta(4), and one Ta(5) atom. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one Ta(5), one Ta(6), one Ta(8), and one Cu(1) atom. In the sixteenth S site, S(16) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(2), one Ta(5), and one Cu(2) atom. In the seventeenth S site, S(17) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(12), one Ta(13), and one Cu(3) atom. In the eighteenth S site, S(18) is bonded to one Ta(10), one Ta(11), one Ta(12), and one Ta(13) atom to form corner-sharing STa4 trigonal pyramids. In the nineteenth S site, S(19) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(11), one Ta(3), and one Ta(8) atom. In the twentieth S site, S(20) is bonded to one Ta(11), one Ta(2), one Ta(6), and one Ta(8) atom to form corner-sharing STa4 trigonal pyramids. In the twenty-first S site, S(21) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(3), one Ta(8), and one Cu(3) atom. In the twenty-second S site, S(22) is bonded in a rectangular see-saw-like geometry to one Ta(2), one Ta(6), one Ta(8), and one Cu(1) atom. In the twenty-third S site, S(23) is bonded in a distorted T-shaped geometry to one Ta(1), one Ta(3), and one Ta(6) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Ta(3), one Ta(6), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta14(CuS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   8.801
_cell_length_c   12.974
_cell_angle_alpha   92.276
_cell_angle_beta   98.014
_cell_angle_gamma   101.345
_symmetry_Int_Tables_number   1
_cell_volume   737.457
_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
  Ta  Ta0  1  0.059  0.022  0.244  1.0
  Ta  Ta1  1  0.407  0.363  0.246  1.0
  Ta  Ta2  1  0.569  0.028  0.242  1.0
  Ta  Ta3  1  0.855  0.353  0.001  1.0
  Ta  Ta4  1  0.898  0.363  0.249  1.0
  Ta  Ta5  1  0.727  0.700  0.247  1.0
  Ta  Ta6  1  0.766  0.306  0.750  1.0
  Ta  Ta7  1  0.232  0.693  0.250  1.0
  Ta  Ta8  1  0.274  0.301  0.752  1.0
  Ta  Ta9  1  0.099  0.637  0.751  1.0
  Ta  Ta10  1  0.145  0.647  0.000  1.0
  Ta  Ta11  1  0.434  0.973  0.758  1.0
  Ta  Ta12  1  0.595  0.637  0.754  1.0
  Ta  Ta13  1  0.938  0.976  0.756  1.0
  Cu  Cu14  1  0.795  0.719  0.463  1.0
  Cu  Cu15  1  0.203  0.285  0.535  1.0
  Cu  Cu16  1  0.376  0.946  0.537  1.0
  S  S17  1  0.170  0.065  0.629  1.0
  S  S18  1  0.251  0.097  0.877  1.0
  S  S19  1  0.516  0.407  0.629  1.0
  S  S20  1  0.682  0.071  0.633  1.0
  S  S21  1  0.583  0.429  0.877  1.0
  S  S22  1  0.752  0.101  0.879  1.0
  S  S23  1  0.591  0.241  0.120  1.0
  S  S24  1  0.657  0.261  0.367  1.0
  S  S25  1  0.841  0.739  0.634  1.0
  S  S26  1  0.006  0.405  0.629  1.0
  S  S27  1  0.912  0.760  0.876  1.0
  S  S28  1  0.091  0.423  0.874  1.0
  S  S29  1  0.909  0.577  0.126  1.0
  S  S30  1  0.088  0.240  0.125  1.0
  S  S31  1  0.993  0.595  0.371  1.0
  S  S32  1  0.158  0.260  0.365  1.0
  S  S33  1  0.341  0.732  0.632  1.0
  S  S34  1  0.409  0.760  0.879  1.0
  S  S35  1  0.248  0.898  0.122  1.0
  S  S36  1  0.416  0.571  0.124  1.0
  S  S37  1  0.325  0.932  0.366  1.0
  S  S38  1  0.484  0.592  0.371  1.0
  S  S39  1  0.749  0.903  0.122  1.0
  S  S40  1  0.824  0.938  0.370  1.0
[/CIF]
.
The material described by Ta14(CuS8)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one S(14), one S(16), one S(19), one S(21), one S(23), and one S(24) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 43-48°. In the second Ta site, Ta(2) is bonded to one S(14), one S(16), one S(20), one S(22), one S(7), and one S(8) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the third Ta site, Ta(3) is bonded to one S(19), one S(21), one S(23), one S(24), one S(7), and one S(8) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 45-46°. In the fourth Ta site, Ta(4) is bonded to one S(12), one S(13), one S(14), one S(5), one S(6), and one S(7) atom to form a mixture of edge, face, and corner-sharing TaS6 octahedra. In the fifth Ta site, Ta(5) is bonded to one S(13), one S(14), one S(15), one S(16), one S(7), and one S(8) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. In the sixth Ta site, Ta(6) is bonded in a 6-coordinate geometry to one S(13), one S(15), one S(20), one S(22), one S(23), and one S(24) atom. In the seventh Ta site, Ta(7) is bonded to one S(10), one S(12), one S(3), one S(4), one S(5), and one S(6) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 52°. In the eighth Ta site, Ta(8) is bonded to one S(13), one S(15), one S(19), one S(20), one S(21), and one S(22) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. In the ninth Ta site, Ta(9) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(12), one S(2), one S(3), and one S(5) atom. In the tenth Ta site, Ta(10) is bonded to one S(10), one S(11), one S(12), one S(17), one S(18), and one S(9) atom to form a mixture of distorted edge, face, and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 52°. In the eleventh Ta site, Ta(11) is bonded to one S(11), one S(12), one S(13), one S(18), one S(19), and one S(20) atom to form a mixture of edge, face, and corner-sharing TaS6 octahedra. In the twelfth Ta site, Ta(12) is bonded in a 6-coordinate geometry to one S(1), one S(17), one S(18), one S(2), one S(4), and one S(6) atom. In the thirteenth Ta site, Ta(13) is bonded to one S(11), one S(17), one S(18), one S(3), one S(5), and one S(9) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the fourteenth Ta site, Ta(14) is bonded to one S(1), one S(11), one S(2), one S(4), one S(6), and one S(9) atom to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-47°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(15), one S(22), one S(24), and one S(9) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(10), one S(16), and one S(3) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(1), one S(17), one S(21), and one S(4) atom. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ta(12), one Ta(14), one Ta(9), one Cu(2), and one Cu(3) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ta(12), one Ta(14), and one Ta(9) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(13), one Ta(7), one Ta(9), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ta(12), one Ta(14), one Ta(7), and one Cu(3) atom. In the fifth S site, S(5) is bonded to one Ta(13), one Ta(4), one Ta(7), and one Ta(9) atom to form a mixture of edge and corner-sharing STa4 trigonal pyramids. In the sixth S site, S(6) is bonded to one Ta(12), one Ta(14), one Ta(4), and one Ta(7) atom to form a mixture of edge and corner-sharing STa4 trigonal pyramids. In the seventh S site, S(7) is bonded to one Ta(2), one Ta(3), one Ta(4), and one Ta(5) atom to form corner-sharing STa4 trigonal pyramids. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Ta(2), one Ta(3), and one Ta(5) atom. In the ninth S site, S(9) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(13), one Ta(14), and one Cu(1) atom. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(7), one Ta(9), and one Cu(2) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(11), one Ta(13), and one Ta(14) atom. In the twelfth S site, S(12) is bonded in a distorted pentagonal planar geometry to one Ta(10), one Ta(11), one Ta(4), one Ta(7), and one Ta(9) atom. In the thirteenth S site, S(13) is bonded in a distorted pentagonal planar geometry to one Ta(11), one Ta(4), one Ta(5), one Ta(6), and one Ta(8) atom. In the fourteenth S site, S(14) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(2), one Ta(4), and one Ta(5) atom. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one Ta(5), one Ta(6), one Ta(8), and one Cu(1) atom. In the sixteenth S site, S(16) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(2), one Ta(5), and one Cu(2) atom. In the seventeenth S site, S(17) is bonded in a rectangular see-saw-like geometry to one Ta(10), one Ta(12), one Ta(13), and one Cu(3) atom. In the eighteenth S site, S(18) is bonded to one Ta(10), one Ta(11), one Ta(12), and one Ta(13) atom to form corner-sharing STa4 trigonal pyramids. In the nineteenth S site, S(19) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(11), one Ta(3), and one Ta(8) atom. In the twentieth S site, S(20) is bonded to one Ta(11), one Ta(2), one Ta(6), and one Ta(8) atom to form corner-sharing STa4 trigonal pyramids. In the twenty-first S site, S(21) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Ta(3), one Ta(8), and one Cu(3) atom. In the twenty-second S site, S(22) is bonded in a rectangular see-saw-like geometry to one Ta(2), one Ta(6), one Ta(8), and one Cu(1) atom. In the twenty-third S site, S(23) is bonded in a distorted T-shaped geometry to one Ta(1), one Ta(3), and one Ta(6) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Ta(3), one Ta(6), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta14(CuS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   8.801
_cell_length_c   12.974
_cell_angle_alpha   92.276
_cell_angle_beta   98.014
_cell_angle_gamma   101.345
_symmetry_Int_Tables_number   1
_cell_volume   737.457
_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
  Ta  Ta0  1  0.059  0.022  0.244  1.0
  Ta  Ta1  1  0.407  0.363  0.246  1.0
  Ta  Ta2  1  0.569  0.028  0.242  1.0
  Ta  Ta3  1  0.855  0.353  0.001  1.0
  Ta  Ta4  1  0.898  0.363  0.249  1.0
  Ta  Ta5  1  0.727  0.700  0.247  1.0
  Ta  Ta6  1  0.766  0.306  0.750  1.0
  Ta  Ta7  1  0.232  0.693  0.250  1.0
  Ta  Ta8  1  0.274  0.301  0.752  1.0
  Ta  Ta9  1  0.099  0.637  0.751  1.0
  Ta  Ta10  1  0.145  0.647  0.000  1.0
  Ta  Ta11  1  0.434  0.973  0.758  1.0
  Ta  Ta12  1  0.595  0.637  0.754  1.0
  Ta  Ta13  1  0.938  0.976  0.756  1.0
  Cu  Cu14  1  0.795  0.719  0.463  1.0
  Cu  Cu15  1  0.203  0.285  0.535  1.0
  Cu  Cu16  1  0.376  0.946  0.537  1.0
  S  S17  1  0.170  0.065  0.629  1.0
  S  S18  1  0.251  0.097  0.877  1.0
  S  S19  1  0.516  0.407  0.629  1.0
  S  S20  1  0.682  0.071  0.633  1.0
  S  S21  1  0.583  0.429  0.877  1.0
  S  S22  1  0.752  0.101  0.879  1.0
  S  S23  1  0.591  0.241  0.120  1.0
  S  S24  1  0.657  0.261  0.367  1.0
  S  S25  1  0.841  0.739  0.634  1.0
  S  S26  1  0.006  0.405  0.629  1.0
  S  S27  1  0.912  0.760  0.876  1.0
  S  S28  1  0.091  0.423  0.874  1.0
  S  S29  1  0.909  0.577  0.126  1.0
  S  S30  1  0.088  0.240  0.125  1.0
  S  S31  1  0.993  0.595  0.371  1.0
  S  S32  1  0.158  0.260  0.365  1.0
  S  S33  1  0.341  0.732  0.632  1.0
  S  S34  1  0.409  0.760  0.879  1.0
  S  S35  1  0.248  0.898  0.122  1.0
  S  S36  1  0.416  0.571  0.124  1.0
  S  S37  1  0.325  0.932  0.366  1.0
  S  S38  1  0.484  0.592  0.371  1.0
  S  S39  1  0.749  0.903  0.122  1.0
  S  S40  1  0.824  0.938  0.370  1.0
[/CIF]
.