The material structure described by AgCrTiS4 crystallizes in the monoclinic Pm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(10), one S(6), two equivalent S(14), and two equivalent S(5) atoms to form TiS6 octahedra that share edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(4)S6 octahedra. In the second Ti site, Ti(2) is bonded to one S(15), two equivalent S(1), and two equivalent S(11) atoms to form distorted TiS5 square pyramids that share edges with two equivalent Cr(2)S6 octahedra and edges with two equivalent Ti(2)S5 square pyramids. In the third Ti site, Ti(3) is bonded to one S(16), two equivalent S(12), and two equivalent S(2) atoms to form distorted TiS5 square pyramids that share edges with two equivalent Cr(3)S6 octahedra and edges with two equivalent Ti(3)S5 square pyramids. In the fourth Ti site, Ti(4) is bonded to one S(13), two equivalent S(3), and two equivalent S(9) atoms to form distorted TiS5 trigonal bipyramids that share edges with two equivalent Cr(1)S6 octahedra and edges with two equivalent Ti(4)S5 trigonal bipyramids. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(9), two equivalent S(13), and two equivalent S(6) atoms to form CrS6 octahedra that share edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Ti(4)S5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one S(11), one S(7), two equivalent S(15), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Cr(4)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Ti(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 54°. In the third Cr site, Cr(3) is bonded to one S(12), one S(8), two equivalent S(16), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(4)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Ti(3)S5 square pyramids. The corner-sharing octahedral tilt angles are 61°. In the fourth Cr site, Cr(4) is bonded to one S(14), one S(8), two equivalent S(10), and two equivalent S(4) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(1), one S(6), and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one S(2), one S(5), and two equivalent S(1) atoms. In the third Ag site, Ag(3) is bonded in a 5-coordinate geometry to one S(3), two equivalent S(11), and two equivalent S(4) atoms. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one S(4), two equivalent S(12), and two equivalent S(14) atoms. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ti(2), one Ag(1), and two equivalent Ag(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ti(3), one Ag(2), and two equivalent Ag(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(4) and one Ag(3) atom. In the fourth S site, S(4) is bonded to two equivalent Cr(4), one Ag(4), and two equivalent Ag(3) atoms to form distorted SCr2Ag3 trigonal bipyramids that share corners with two equivalent S(11)Ti2CrAg2 trigonal bipyramids, corners with two equivalent S(12)Ti2CrAg2 trigonal bipyramids, edges with two equivalent S(14)Ti2CrAg2 square pyramids,  an edgeedge with one S(11)Ti2CrAg2 trigonal bipyramid, and edges with two equivalent S(4)Cr2Ag3 trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(1), and one Ag(2) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Ag(1) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(3) atoms. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Cr(3), one Cr(4), and two equivalent Cr(2) atoms. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to two equivalent Ti(4) and one Cr(1) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Cr(4) atoms. In the eleventh S site, S(11) is bonded to two equivalent Ti(2), one Cr(2), and two equivalent Ag(3) atoms to form distorted STi2CrAg2 trigonal bipyramids that share corners with two equivalent S(4)Cr2Ag3 trigonal bipyramids,  an edgeedge with one S(4)Cr2Ag3 trigonal bipyramid, and edges with two equivalent S(11)Ti2CrAg2 trigonal bipyramids. In the twelfth S site, S(12) is bonded to two equivalent Ti(3), one Cr(3), and two equivalent Ag(4) atoms to form distorted STi2CrAg2 trigonal bipyramids that share corners with two equivalent S(14)Ti2CrAg2 square pyramids, corners with two equivalent S(4)Cr2Ag3 trigonal bipyramids,  an edgeedge with one S(14)Ti2CrAg2 square pyramid, and edges with two equivalent S(12)Ti2CrAg2 trigonal bipyramids. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to one Ti(4) and two equivalent Cr(1) atoms. In the fourteenth S site, S(14) is bonded to two equivalent Ti(1), one Cr(4), and two equivalent Ag(4) atoms to form distorted STi2CrAg2 square pyramids that share corners with two equivalent S(12)Ti2CrAg2 trigonal bipyramids, edges with two equivalent S(14)Ti2CrAg2 square pyramids,  an edgeedge with one S(12)Ti2CrAg2 trigonal bipyramid, and edges with two equivalent S(4)Cr2Ag3 trigonal bipyramids. In the fifteenth S site, S(15) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Cr(2) atoms. In the sixteenth S site, S(16) is bonded in a 3-coordinate geometry to one Ti(3) and two equivalent Cr(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.459
_cell_length_b   11.807
_cell_length_c   14.176
_cell_angle_alpha   80.252
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   570.534
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.000  0.066  0.873  1.0
  Ti  Ti1  1  0.500  0.389  0.248  1.0
  Ti  Ti2  1  0.000  0.612  0.791  1.0
  Ti  Ti3  1  0.000  0.885  0.263  1.0
  Cr  Cr4  1  0.500  0.973  0.074  1.0
  Cr  Cr5  1  0.000  0.427  0.433  1.0
  Cr  Cr6  1  0.500  0.527  0.615  1.0
  Cr  Cr7  1  0.500  0.153  0.654  1.0
  Ag  Ag8  1  0.000  0.665  0.039  1.0
  Ag  Ag9  1  0.500  0.353  0.009  1.0
  Ag  Ag10  1  0.500  0.087  0.421  1.0
  Ag  Ag11  1  0.000  0.872  0.644  1.0
  S  S12  1  0.000  0.447  0.127  1.0
  S  S13  1  0.500  0.574  0.912  1.0
  S  S14  1  0.500  0.892  0.377  1.0
  S  S15  1  0.000  0.073  0.567  1.0
  S  S16  1  0.500  0.154  0.963  1.0
  S  S17  1  0.000  0.890  0.990  1.0
  S  S18  1  0.000  0.593  0.508  1.0
  S  S19  1  0.500  0.353  0.544  1.0
  S  S20  1  0.500  0.791  0.181  1.0
  S  S21  1  0.000  0.218  0.743  1.0
  S  S22  1  0.000  0.271  0.338  1.0
  S  S23  1  0.500  0.707  0.682  1.0
  S  S24  1  0.000  0.056  0.161  1.0
  S  S25  1  0.500  0.988  0.782  1.0
  S  S26  1  0.500  0.532  0.332  1.0
  S  S27  1  0.000  0.453  0.729  1.0
[/CIF]
.
The material structure described by AgCrTiS4 crystallizes in the monoclinic Pm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(10), one S(6), two equivalent S(14), and two equivalent S(5) atoms to form TiS6 octahedra that share edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(4)S6 octahedra. In the second Ti site, Ti(2) is bonded to one S(15), two equivalent S(1), and two equivalent S(11) atoms to form distorted TiS5 square pyramids that share edges with two equivalent Cr(2)S6 octahedra and edges with two equivalent Ti(2)S5 square pyramids. In the third Ti site, Ti(3) is bonded to one S(16), two equivalent S(12), and two equivalent S(2) atoms to form distorted TiS5 square pyramids that share edges with two equivalent Cr(3)S6 octahedra and edges with two equivalent Ti(3)S5 square pyramids. In the fourth Ti site, Ti(4) is bonded to one S(13), two equivalent S(3), and two equivalent S(9) atoms to form distorted TiS5 trigonal bipyramids that share edges with two equivalent Cr(1)S6 octahedra and edges with two equivalent Ti(4)S5 trigonal bipyramids. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(9), two equivalent S(13), and two equivalent S(6) atoms to form CrS6 octahedra that share edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Ti(4)S5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one S(11), one S(7), two equivalent S(15), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Cr(4)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Ti(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 54°. In the third Cr site, Cr(3) is bonded to one S(12), one S(8), two equivalent S(16), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(4)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Ti(3)S5 square pyramids. The corner-sharing octahedral tilt angles are 61°. In the fourth Cr site, Cr(4) is bonded to one S(14), one S(8), two equivalent S(10), and two equivalent S(4) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(1), one S(6), and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one S(2), one S(5), and two equivalent S(1) atoms. In the third Ag site, Ag(3) is bonded in a 5-coordinate geometry to one S(3), two equivalent S(11), and two equivalent S(4) atoms. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one S(4), two equivalent S(12), and two equivalent S(14) atoms. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ti(2), one Ag(1), and two equivalent Ag(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ti(3), one Ag(2), and two equivalent Ag(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(4) and one Ag(3) atom. In the fourth S site, S(4) is bonded to two equivalent Cr(4), one Ag(4), and two equivalent Ag(3) atoms to form distorted SCr2Ag3 trigonal bipyramids that share corners with two equivalent S(11)Ti2CrAg2 trigonal bipyramids, corners with two equivalent S(12)Ti2CrAg2 trigonal bipyramids, edges with two equivalent S(14)Ti2CrAg2 square pyramids,  an edgeedge with one S(11)Ti2CrAg2 trigonal bipyramid, and edges with two equivalent S(4)Cr2Ag3 trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(1), and one Ag(2) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Ag(1) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(3) atoms. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Cr(3), one Cr(4), and two equivalent Cr(2) atoms. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to two equivalent Ti(4) and one Cr(1) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Cr(4) atoms. In the eleventh S site, S(11) is bonded to two equivalent Ti(2), one Cr(2), and two equivalent Ag(3) atoms to form distorted STi2CrAg2 trigonal bipyramids that share corners with two equivalent S(4)Cr2Ag3 trigonal bipyramids,  an edgeedge with one S(4)Cr2Ag3 trigonal bipyramid, and edges with two equivalent S(11)Ti2CrAg2 trigonal bipyramids. In the twelfth S site, S(12) is bonded to two equivalent Ti(3), one Cr(3), and two equivalent Ag(4) atoms to form distorted STi2CrAg2 trigonal bipyramids that share corners with two equivalent S(14)Ti2CrAg2 square pyramids, corners with two equivalent S(4)Cr2Ag3 trigonal bipyramids,  an edgeedge with one S(14)Ti2CrAg2 square pyramid, and edges with two equivalent S(12)Ti2CrAg2 trigonal bipyramids. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to one Ti(4) and two equivalent Cr(1) atoms. In the fourteenth S site, S(14) is bonded to two equivalent Ti(1), one Cr(4), and two equivalent Ag(4) atoms to form distorted STi2CrAg2 square pyramids that share corners with two equivalent S(12)Ti2CrAg2 trigonal bipyramids, edges with two equivalent S(14)Ti2CrAg2 square pyramids,  an edgeedge with one S(12)Ti2CrAg2 trigonal bipyramid, and edges with two equivalent S(4)Cr2Ag3 trigonal bipyramids. In the fifteenth S site, S(15) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Cr(2) atoms. In the sixteenth S site, S(16) is bonded in a 3-coordinate geometry to one Ti(3) and two equivalent Cr(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.459
_cell_length_b   11.807
_cell_length_c   14.176
_cell_angle_alpha   80.252
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   570.534
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.000  0.066  0.873  1.0
  Ti  Ti1  1  0.500  0.389  0.248  1.0
  Ti  Ti2  1  0.000  0.612  0.791  1.0
  Ti  Ti3  1  0.000  0.885  0.263  1.0
  Cr  Cr4  1  0.500  0.973  0.074  1.0
  Cr  Cr5  1  0.000  0.427  0.433  1.0
  Cr  Cr6  1  0.500  0.527  0.615  1.0
  Cr  Cr7  1  0.500  0.153  0.654  1.0
  Ag  Ag8  1  0.000  0.665  0.039  1.0
  Ag  Ag9  1  0.500  0.353  0.009  1.0
  Ag  Ag10  1  0.500  0.087  0.421  1.0
  Ag  Ag11  1  0.000  0.872  0.644  1.0
  S  S12  1  0.000  0.447  0.127  1.0
  S  S13  1  0.500  0.574  0.912  1.0
  S  S14  1  0.500  0.892  0.377  1.0
  S  S15  1  0.000  0.073  0.567  1.0
  S  S16  1  0.500  0.154  0.963  1.0
  S  S17  1  0.000  0.890  0.990  1.0
  S  S18  1  0.000  0.593  0.508  1.0
  S  S19  1  0.500  0.353  0.544  1.0
  S  S20  1  0.500  0.791  0.181  1.0
  S  S21  1  0.000  0.218  0.743  1.0
  S  S22  1  0.000  0.271  0.338  1.0
  S  S23  1  0.500  0.707  0.682  1.0
  S  S24  1  0.000  0.056  0.161  1.0
  S  S25  1  0.500  0.988  0.782  1.0
  S  S26  1  0.500  0.532  0.332  1.0
  S  S27  1  0.000  0.453  0.729  1.0
[/CIF]
.