The material structure described by TaCr3(AgS4)2 crystallizes in the monoclinic Pm space group. Ta(1) is bonded to one S(2), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form TaS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four equivalent Ag(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Cr(3)S6 octahedra, and  a faceface with one Ag(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Cr site, Cr(2) is bonded to one S(3), one S(6), two equivalent S(2), and two equivalent S(7) atoms to form CrS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Ta(1)S6 octahedra, and  a faceface with one Ag(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the third Cr site, Cr(3) is bonded to one S(1), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four equivalent Ag(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form distorted AgS6 octahedra that share corners with two equivalent Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra,  a faceface with one Ta(1)S6 octahedra, and  a faceface with one Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Ag site, Ag(2) is bonded to one S(3), one S(4), two equivalent S(7), and two equivalent S(8) atoms to form distorted AgS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with four equivalent Ta(1)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra, edges with two equivalent Ag(2)S6 octahedra,  a faceface with one Cr(1)S6 octahedra, and  a faceface with one Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(3), two equivalent Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(2), and one Ag(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1), one Cr(2), and one Ag(2) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Ag(2) atom. 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 edge-sharing SCr3Ag2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Cr(2), and two equivalent Ag(1) atoms. In the seventh S site, S(7) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Ag(2) atoms to form distorted edge-sharing STaCr2Ag2 trigonal bipyramids. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Cr(3), two equivalent Cr(1), and two equivalent Ag(2) atoms. is represented by the CIF card [CIF]
data_TaCr3(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   5.936
_cell_length_c   12.867
_cell_angle_alpha   88.415
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.242
_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  0.500  0.528  0.252  1.0
  Cr  Cr1  1  0.000  0.018  0.758  1.0
  Cr  Cr2  1  0.000  0.972  0.247  1.0
  Cr  Cr3  1  0.500  0.484  0.743  1.0
  Ag  Ag4  1  0.500  0.505  0.994  1.0
  Ag  Ag5  1  0.000  0.010  0.506  1.0
  S  S6  1  0.500  0.163  0.860  1.0
  S  S7  1  0.500  0.847  0.132  1.0
  S  S8  1  0.000  0.657  0.371  1.0
  S  S9  1  0.000  0.341  0.640  1.0
  S  S10  1  0.000  0.659  0.847  1.0
  S  S11  1  0.000  0.325  0.146  1.0
  S  S12  1  0.500  0.147  0.349  1.0
  S  S13  1  0.500  0.844  0.654  1.0
[/CIF]
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The material structure described by TaCr3(AgS4)2 crystallizes in the monoclinic Pm space group. Ta(1) is bonded to one S(2), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form TaS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four equivalent Ag(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Cr(3)S6 octahedra, and  a faceface with one Ag(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Cr site, Cr(2) is bonded to one S(3), one S(6), two equivalent S(2), and two equivalent S(7) atoms to form CrS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Ta(1)S6 octahedra, and  a faceface with one Ag(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the third Cr site, Cr(3) is bonded to one S(1), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four equivalent Ag(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form distorted AgS6 octahedra that share corners with two equivalent Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra,  a faceface with one Ta(1)S6 octahedra, and  a faceface with one Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Ag site, Ag(2) is bonded to one S(3), one S(4), two equivalent S(7), and two equivalent S(8) atoms to form distorted AgS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with four equivalent Ta(1)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra, edges with two equivalent Ag(2)S6 octahedra,  a faceface with one Cr(1)S6 octahedra, and  a faceface with one Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(3), two equivalent Cr(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(2), and one Ag(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1), one Cr(2), and one Ag(2) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Ag(2) atom. 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 edge-sharing SCr3Ag2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Cr(2), and two equivalent Ag(1) atoms. In the seventh S site, S(7) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Ag(2) atoms to form distorted edge-sharing STaCr2Ag2 trigonal bipyramids. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Cr(3), two equivalent Cr(1), and two equivalent Ag(2) atoms. is represented by the CIF card [CIF]
data_TaCr3(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   5.936
_cell_length_c   12.867
_cell_angle_alpha   88.415
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.242
_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  0.500  0.528  0.252  1.0
  Cr  Cr1  1  0.000  0.018  0.758  1.0
  Cr  Cr2  1  0.000  0.972  0.247  1.0
  Cr  Cr3  1  0.500  0.484  0.743  1.0
  Ag  Ag4  1  0.500  0.505  0.994  1.0
  Ag  Ag5  1  0.000  0.010  0.506  1.0
  S  S6  1  0.500  0.163  0.860  1.0
  S  S7  1  0.500  0.847  0.132  1.0
  S  S8  1  0.000  0.657  0.371  1.0
  S  S9  1  0.000  0.341  0.640  1.0
  S  S10  1  0.000  0.659  0.847  1.0
  S  S11  1  0.000  0.325  0.146  1.0
  S  S12  1  0.500  0.147  0.349  1.0
  S  S13  1  0.500  0.844  0.654  1.0
[/CIF]
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