The material described by TaCr3(AgS4)2 crystallizes in the orthorhombic Pmc2_1 space group. Ta(1) is bonded to one S(3), one S(8), two equivalent S(1), and two equivalent S(6) atoms to form distorted TaS6 octahedra that share  a cornercorner with one Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), one S(5), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second Cr site, Cr(2) is bonded to one S(4), one S(6), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Ta(1)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third Cr site, Cr(3) is bonded to one S(4), one S(7), two equivalent S(2), and two equivalent S(5) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(5), and two equivalent S(8) atoms. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(6), and two equivalent S(7) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ta(1), one Ag(1), and two equivalent Ag(2) atoms to form distorted STa2Ag3 square pyramids that share corners with two equivalent S(7)Cr3Ag2 square pyramids, corners with two equivalent S(5)Cr3Ag2 trigonal bipyramids, corners with four equivalent S(6)Ta2CrAg2 trigonal bipyramids,  an edgeedge with one S(7)Cr3Ag2 square pyramid, edges with two equivalent S(1)Ta2Ag3 square pyramids, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(6)Ta2CrAg2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Cr(3), one Ag(2), and two equivalent Ag(1) atoms to form distorted SCr2Ag3 trigonal bipyramids that share corners with two equivalent S(6)Ta2CrAg2 trigonal bipyramids, corners with four equivalent S(5)Cr3Ag2 trigonal bipyramids, edges with two equivalent S(7)Cr3Ag2 square pyramids, edges with two equivalent S(1)Ta2Ag3 square pyramids, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(5)Cr3Ag2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms. In the fifth S site, S(5) is bonded to one Cr(1), two equivalent Cr(3), and two equivalent Ag(1) atoms to form distorted SCr3Ag2 trigonal bipyramids that share corners with two equivalent S(1)Ta2Ag3 square pyramids, corners with four equivalent S(2)Cr2Ag3 trigonal bipyramids, edges with two equivalent S(7)Cr3Ag2 square pyramids, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(5)Cr3Ag2 trigonal bipyramids. In the sixth S site, S(6) is bonded to two equivalent Ta(1), one Cr(2), and two equivalent Ag(2) atoms to form distorted STa2CrAg2 trigonal bipyramids that share corners with two equivalent S(7)Cr3Ag2 square pyramids, corners with four equivalent S(1)Ta2Ag3 square pyramids, corners with two equivalent S(2)Cr2Ag3 trigonal bipyramids,  an edgeedge with one S(7)Cr3Ag2 square pyramid, edges with two equivalent S(1)Ta2Ag3 square pyramids, and edges with two equivalent S(6)Ta2CrAg2 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Ag(2) atoms to form distorted SCr3Ag2 square pyramids that share corners with two equivalent S(1)Ta2Ag3 square pyramids, corners with two equivalent S(6)Ta2CrAg2 trigonal bipyramids,  an edgeedge with one S(1)Ta2Ag3 square pyramid, edges with two equivalent S(7)Cr3Ag2 square pyramids,  an edgeedge with one S(6)Ta2CrAg2 trigonal bipyramid, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(5)Cr3Ag2 trigonal bipyramids. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Ta(1), two equivalent Cr(2), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_TaCr3(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.846
_cell_length_b   3.478
_cell_length_c   12.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.454
_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  0.154  0.250  0.714  1.0
  Ta  Ta1  1  0.654  0.250  0.786  1.0
  Cr  Cr2  1  0.104  0.250  0.083  1.0
  Cr  Cr3  1  0.895  0.750  0.931  1.0
  Cr  Cr4  1  0.395  0.750  0.569  1.0
  Cr  Cr5  1  0.604  0.250  0.417  1.0
  Cr  Cr6  1  0.845  0.750  0.294  1.0
  Cr  Cr7  1  0.345  0.750  0.206  1.0
  Ag  Ag8  1  0.130  0.750  0.398  1.0
  Ag  Ag9  1  0.859  0.250  0.573  1.0
  Ag  Ag10  1  0.359  0.250  0.927  1.0
  Ag  Ag11  1  0.630  0.750  0.102  1.0
  S  S12  1  0.049  0.750  0.622  1.0
  S  S13  1  0.952  0.250  0.377  1.0
  S  S14  1  0.452  0.250  0.123  1.0
  S  S15  1  0.549  0.750  0.878  1.0
  S  S16  1  0.036  0.250  0.881  1.0
  S  S17  1  0.966  0.750  0.116  1.0
  S  S18  1  0.466  0.750  0.384  1.0
  S  S19  1  0.536  0.250  0.619  1.0
  S  S20  1  0.211  0.250  0.248  1.0
  S  S21  1  0.798  0.750  0.745  1.0
  S  S22  1  0.298  0.750  0.755  1.0
  S  S23  1  0.711  0.250  0.252  1.0
  S  S24  1  0.233  0.750  0.043  1.0
  S  S25  1  0.767  0.250  0.967  1.0
  S  S26  1  0.267  0.250  0.533  1.0
  S  S27  1  0.733  0.750  0.457  1.0
[/CIF]
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The material described by TaCr3(AgS4)2 crystallizes in the orthorhombic Pmc2_1 space group. Ta(1) is bonded to one S(3), one S(8), two equivalent S(1), and two equivalent S(6) atoms to form distorted TaS6 octahedra that share  a cornercorner with one Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), one S(5), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second Cr site, Cr(2) is bonded to one S(4), one S(6), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Ta(1)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third Cr site, Cr(3) is bonded to one S(4), one S(7), two equivalent S(2), and two equivalent S(5) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(5), and two equivalent S(8) atoms. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(6), and two equivalent S(7) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ta(1), one Ag(1), and two equivalent Ag(2) atoms to form distorted STa2Ag3 square pyramids that share corners with two equivalent S(7)Cr3Ag2 square pyramids, corners with two equivalent S(5)Cr3Ag2 trigonal bipyramids, corners with four equivalent S(6)Ta2CrAg2 trigonal bipyramids,  an edgeedge with one S(7)Cr3Ag2 square pyramid, edges with two equivalent S(1)Ta2Ag3 square pyramids, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(6)Ta2CrAg2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Cr(3), one Ag(2), and two equivalent Ag(1) atoms to form distorted SCr2Ag3 trigonal bipyramids that share corners with two equivalent S(6)Ta2CrAg2 trigonal bipyramids, corners with four equivalent S(5)Cr3Ag2 trigonal bipyramids, edges with two equivalent S(7)Cr3Ag2 square pyramids, edges with two equivalent S(1)Ta2Ag3 square pyramids, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(5)Cr3Ag2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms. In the fifth S site, S(5) is bonded to one Cr(1), two equivalent Cr(3), and two equivalent Ag(1) atoms to form distorted SCr3Ag2 trigonal bipyramids that share corners with two equivalent S(1)Ta2Ag3 square pyramids, corners with four equivalent S(2)Cr2Ag3 trigonal bipyramids, edges with two equivalent S(7)Cr3Ag2 square pyramids, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(5)Cr3Ag2 trigonal bipyramids. In the sixth S site, S(6) is bonded to two equivalent Ta(1), one Cr(2), and two equivalent Ag(2) atoms to form distorted STa2CrAg2 trigonal bipyramids that share corners with two equivalent S(7)Cr3Ag2 square pyramids, corners with four equivalent S(1)Ta2Ag3 square pyramids, corners with two equivalent S(2)Cr2Ag3 trigonal bipyramids,  an edgeedge with one S(7)Cr3Ag2 square pyramid, edges with two equivalent S(1)Ta2Ag3 square pyramids, and edges with two equivalent S(6)Ta2CrAg2 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Ag(2) atoms to form distorted SCr3Ag2 square pyramids that share corners with two equivalent S(1)Ta2Ag3 square pyramids, corners with two equivalent S(6)Ta2CrAg2 trigonal bipyramids,  an edgeedge with one S(1)Ta2Ag3 square pyramid, edges with two equivalent S(7)Cr3Ag2 square pyramids,  an edgeedge with one S(6)Ta2CrAg2 trigonal bipyramid, edges with two equivalent S(2)Cr2Ag3 trigonal bipyramids, and edges with two equivalent S(5)Cr3Ag2 trigonal bipyramids. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Ta(1), two equivalent Cr(2), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_TaCr3(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.846
_cell_length_b   3.478
_cell_length_c   12.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.454
_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  0.154  0.250  0.714  1.0
  Ta  Ta1  1  0.654  0.250  0.786  1.0
  Cr  Cr2  1  0.104  0.250  0.083  1.0
  Cr  Cr3  1  0.895  0.750  0.931  1.0
  Cr  Cr4  1  0.395  0.750  0.569  1.0
  Cr  Cr5  1  0.604  0.250  0.417  1.0
  Cr  Cr6  1  0.845  0.750  0.294  1.0
  Cr  Cr7  1  0.345  0.750  0.206  1.0
  Ag  Ag8  1  0.130  0.750  0.398  1.0
  Ag  Ag9  1  0.859  0.250  0.573  1.0
  Ag  Ag10  1  0.359  0.250  0.927  1.0
  Ag  Ag11  1  0.630  0.750  0.102  1.0
  S  S12  1  0.049  0.750  0.622  1.0
  S  S13  1  0.952  0.250  0.377  1.0
  S  S14  1  0.452  0.250  0.123  1.0
  S  S15  1  0.549  0.750  0.878  1.0
  S  S16  1  0.036  0.250  0.881  1.0
  S  S17  1  0.966  0.750  0.116  1.0
  S  S18  1  0.466  0.750  0.384  1.0
  S  S19  1  0.536  0.250  0.619  1.0
  S  S20  1  0.211  0.250  0.248  1.0
  S  S21  1  0.798  0.750  0.745  1.0
  S  S22  1  0.298  0.750  0.755  1.0
  S  S23  1  0.711  0.250  0.252  1.0
  S  S24  1  0.233  0.750  0.043  1.0
  S  S25  1  0.767  0.250  0.967  1.0
  S  S26  1  0.267  0.250  0.533  1.0
  S  S27  1  0.733  0.750  0.457  1.0
[/CIF]
.