The material described by Ti2Cr4(CuSe4)3 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms to form TiSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ti(1)Se6 octahedra,  an edgeedge with one Cr(1)Se6 octahedra,  an edgeedge with one Cr(3)Se6 octahedra, and edges with three equivalent Cr(2)Se6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Se(2), two equivalent Se(3), and two equivalent Se(6) atoms to form CrSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Ti(1)Se6 octahedra, edges with two equivalent Cr(2)Se6 octahedra, and edges with two equivalent Cr(3)Se6 octahedra. In the second Cr site, Cr(2) is bonded to one Se(1), one Se(2), one Se(5), one Se(6), and two equivalent Se(4) atoms to form CrSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Cr(1)Se6 octahedra,  an edgeedge with one Cr(2)Se6 octahedra,  an edgeedge with one Cr(3)Se6 octahedra, and edges with three equivalent Ti(1)Se6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent Se(3), two equivalent Se(5), and two equivalent Se(6) atoms to form CrSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Ti(1)Se6 octahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with two equivalent Cr(2)Se6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(3), one Se(4), and one Se(6) atom to form CuSe4 tetrahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with two equivalent Cr(3)Se6 octahedra, corners with four equivalent Ti(1)Se6 octahedra, and corners with four equivalent Cr(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Cu site, Cu(2) is bonded to two equivalent Se(2) and two equivalent Se(5) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with two equivalent Cr(3)Se6 octahedra, corners with four equivalent Ti(1)Se6 octahedra, and corners with four equivalent Cr(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(2), and one Cu(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cr(1), one Cr(2), and one Cu(2) atom. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cr(1), one Cr(3), and one Cu(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(2), and one Cu(1) atom. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Cr(2), one Cr(3), and one Cu(2) atom. In the sixth Se site, Se(6) is bonded to one Cr(1), one Cr(2), one Cr(3), and one Cu(1) atom to form distorted corner-sharing SeCr3Cu trigonal pyramids. is represented by the CIF card [CIF]
data_Ti2Cr4(CuSe4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   16.432
_cell_angle_alpha   77.811
_cell_angle_beta   77.811
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   857.987
_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
  Ti  Ti0  1  0.166  0.666  0.666  1.0
  Ti  Ti1  1  0.834  0.334  0.334  1.0
  Ti  Ti2  1  0.334  0.834  0.834  1.0
  Ti  Ti3  1  0.666  0.166  0.166  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.666  0.667  0.667  1.0
  Cr  Cr6  1  0.334  0.333  0.333  1.0
  Cr  Cr7  1  0.000  0.000  0.000  1.0
  Cr  Cr8  1  0.000  0.500  0.500  1.0
  Cr  Cr9  1  0.333  0.334  0.833  1.0
  Cr  Cr10  1  0.000  0.000  0.500  1.0
  Cr  Cr11  1  0.667  0.666  0.167  1.0
  Cu  Cu12  1  0.791  0.541  0.918  1.0
  Cu  Cu13  1  0.459  0.209  0.582  1.0
  Cu  Cu14  1  0.126  0.874  0.250  1.0
  Cu  Cu15  1  0.541  0.791  0.418  1.0
  Cu  Cu16  1  0.209  0.459  0.082  1.0
  Cu  Cu17  1  0.874  0.126  0.750  1.0
  Se  Se18  1  0.417  0.905  0.670  1.0
  Se  Se19  1  0.083  0.568  0.338  1.0
  Se  Se20  1  0.748  0.234  0.003  1.0
  Se  Se21  1  0.416  0.428  0.672  1.0
  Se  Se22  1  0.083  0.093  0.338  1.0
  Se  Se23  1  0.747  0.764  0.006  1.0
  Se  Se24  1  0.095  0.583  0.830  1.0
  Se  Se25  1  0.766  0.252  0.497  1.0
  Se  Se26  1  0.432  0.917  0.162  1.0
  Se  Se27  1  0.572  0.584  0.828  1.0
  Se  Se28  1  0.236  0.253  0.494  1.0
  Se  Se29  1  0.907  0.917  0.162  1.0
  Se  Se30  1  0.917  0.432  0.662  1.0
  Se  Se31  1  0.583  0.095  0.330  1.0
  Se  Se32  1  0.252  0.766  0.997  1.0
  Se  Se33  1  0.917  0.907  0.662  1.0
  Se  Se34  1  0.584  0.572  0.328  1.0
  Se  Se35  1  0.253  0.236  0.994  1.0
  Se  Se36  1  0.234  0.748  0.503  1.0
  Se  Se37  1  0.905  0.417  0.170  1.0
  Se  Se38  1  0.568  0.083  0.838  1.0
  Se  Se39  1  0.764  0.747  0.506  1.0
  Se  Se40  1  0.428  0.416  0.172  1.0
  Se  Se41  1  0.093  0.083  0.838  1.0
[/CIF]
.
The material described by Ti2Cr4(CuSe4)3 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms to form TiSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ti(1)Se6 octahedra,  an edgeedge with one Cr(1)Se6 octahedra,  an edgeedge with one Cr(3)Se6 octahedra, and edges with three equivalent Cr(2)Se6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Se(2), two equivalent Se(3), and two equivalent Se(6) atoms to form CrSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Ti(1)Se6 octahedra, edges with two equivalent Cr(2)Se6 octahedra, and edges with two equivalent Cr(3)Se6 octahedra. In the second Cr site, Cr(2) is bonded to one Se(1), one Se(2), one Se(5), one Se(6), and two equivalent Se(4) atoms to form CrSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Cr(1)Se6 octahedra,  an edgeedge with one Cr(2)Se6 octahedra,  an edgeedge with one Cr(3)Se6 octahedra, and edges with three equivalent Ti(1)Se6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent Se(3), two equivalent Se(5), and two equivalent Se(6) atoms to form CrSe6 octahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Ti(1)Se6 octahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with two equivalent Cr(2)Se6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(3), one Se(4), and one Se(6) atom to form CuSe4 tetrahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with two equivalent Cr(3)Se6 octahedra, corners with four equivalent Ti(1)Se6 octahedra, and corners with four equivalent Cr(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Cu site, Cu(2) is bonded to two equivalent Se(2) and two equivalent Se(5) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with two equivalent Cr(3)Se6 octahedra, corners with four equivalent Ti(1)Se6 octahedra, and corners with four equivalent Cr(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(2), and one Cu(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cr(1), one Cr(2), and one Cu(2) atom. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cr(1), one Cr(3), and one Cu(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(2), and one Cu(1) atom. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Cr(2), one Cr(3), and one Cu(2) atom. In the sixth Se site, Se(6) is bonded to one Cr(1), one Cr(2), one Cr(3), and one Cu(1) atom to form distorted corner-sharing SeCr3Cu trigonal pyramids. is represented by the CIF card [CIF]
data_Ti2Cr4(CuSe4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   16.432
_cell_angle_alpha   77.811
_cell_angle_beta   77.811
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   857.987
_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
  Ti  Ti0  1  0.166  0.666  0.666  1.0
  Ti  Ti1  1  0.834  0.334  0.334  1.0
  Ti  Ti2  1  0.334  0.834  0.834  1.0
  Ti  Ti3  1  0.666  0.166  0.166  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.666  0.667  0.667  1.0
  Cr  Cr6  1  0.334  0.333  0.333  1.0
  Cr  Cr7  1  0.000  0.000  0.000  1.0
  Cr  Cr8  1  0.000  0.500  0.500  1.0
  Cr  Cr9  1  0.333  0.334  0.833  1.0
  Cr  Cr10  1  0.000  0.000  0.500  1.0
  Cr  Cr11  1  0.667  0.666  0.167  1.0
  Cu  Cu12  1  0.791  0.541  0.918  1.0
  Cu  Cu13  1  0.459  0.209  0.582  1.0
  Cu  Cu14  1  0.126  0.874  0.250  1.0
  Cu  Cu15  1  0.541  0.791  0.418  1.0
  Cu  Cu16  1  0.209  0.459  0.082  1.0
  Cu  Cu17  1  0.874  0.126  0.750  1.0
  Se  Se18  1  0.417  0.905  0.670  1.0
  Se  Se19  1  0.083  0.568  0.338  1.0
  Se  Se20  1  0.748  0.234  0.003  1.0
  Se  Se21  1  0.416  0.428  0.672  1.0
  Se  Se22  1  0.083  0.093  0.338  1.0
  Se  Se23  1  0.747  0.764  0.006  1.0
  Se  Se24  1  0.095  0.583  0.830  1.0
  Se  Se25  1  0.766  0.252  0.497  1.0
  Se  Se26  1  0.432  0.917  0.162  1.0
  Se  Se27  1  0.572  0.584  0.828  1.0
  Se  Se28  1  0.236  0.253  0.494  1.0
  Se  Se29  1  0.907  0.917  0.162  1.0
  Se  Se30  1  0.917  0.432  0.662  1.0
  Se  Se31  1  0.583  0.095  0.330  1.0
  Se  Se32  1  0.252  0.766  0.997  1.0
  Se  Se33  1  0.917  0.907  0.662  1.0
  Se  Se34  1  0.584  0.572  0.328  1.0
  Se  Se35  1  0.253  0.236  0.994  1.0
  Se  Se36  1  0.234  0.748  0.503  1.0
  Se  Se37  1  0.905  0.417  0.170  1.0
  Se  Se38  1  0.568  0.083  0.838  1.0
  Se  Se39  1  0.764  0.747  0.506  1.0
  Se  Se40  1  0.428  0.416  0.172  1.0
  Se  Se41  1  0.093  0.083  0.838  1.0
[/CIF]
.