The structure described by TaCr3(AgS4)2 crystallizes in the monoclinic P2/m space group. Ta(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form TaS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Ag(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted AgS6 octahedra that share corners with four equivalent Ta(1)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, and faces with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), one Cr(2), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cr(1), two equivalent Cr(2), and two equivalent Ag(1) atoms. In the third S site, S(3) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing STaCr2Ag2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaCr3(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   6.017
_cell_length_c   6.508
_cell_angle_alpha   88.946
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.760
_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  0.000  0.500  0.500  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.250  0.000  0.500  1.0
  Cr  Cr3  1  0.750  0.000  0.500  1.0
  Ag  Ag4  1  0.255  0.000  0.000  1.0
  Ag  Ag5  1  0.745  0.000  0.000  1.0
  S  S6  1  0.255  0.329  0.712  1.0
  S  S7  1  0.745  0.329  0.712  1.0
  S  S8  1  0.500  0.829  0.702  1.0
  S  S9  1  0.000  0.832  0.716  1.0
  S  S10  1  0.500  0.171  0.298  1.0
  S  S11  1  0.000  0.168  0.284  1.0
  S  S12  1  0.745  0.671  0.288  1.0
  S  S13  1  0.255  0.671  0.288  1.0
[/CIF]
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The structure described by TaCr3(AgS4)2 crystallizes in the monoclinic P2/m space group. Ta(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form TaS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with eight equivalent Ag(1)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with four equivalent Ag(1)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and faces with two equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Ag(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted AgS6 octahedra that share corners with four equivalent Ta(1)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, and faces with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), one Cr(2), and one Ag(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cr(1), two equivalent Cr(2), and two equivalent Ag(1) atoms. In the third S site, S(3) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing STaCr2Ag2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaCr3(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   6.017
_cell_length_c   6.508
_cell_angle_alpha   88.946
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.760
_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  0.000  0.500  0.500  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.250  0.000  0.500  1.0
  Cr  Cr3  1  0.750  0.000  0.500  1.0
  Ag  Ag4  1  0.255  0.000  0.000  1.0
  Ag  Ag5  1  0.745  0.000  0.000  1.0
  S  S6  1  0.255  0.329  0.712  1.0
  S  S7  1  0.745  0.329  0.712  1.0
  S  S8  1  0.500  0.829  0.702  1.0
  S  S9  1  0.000  0.832  0.716  1.0
  S  S10  1  0.500  0.171  0.298  1.0
  S  S11  1  0.000  0.168  0.284  1.0
  S  S12  1  0.745  0.671  0.288  1.0
  S  S13  1  0.255  0.671  0.288  1.0
[/CIF]
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