The compound described by ZrTi(CrFe)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to three equivalent Zr(2), one Ti(2), two equivalent Cr(3), three equivalent Cr(2), one Fe(1), two equivalent Fe(3), and four equivalent Fe(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to three equivalent Zr(1), one Ti(1), three equivalent Cr(2), four equivalent Cr(3), one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Ti(2), three equivalent Cr(1), four equivalent Cr(3), one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Ti(1), two equivalent Cr(3), three equivalent Cr(1), one Fe(1), two equivalent Fe(3), and four equivalent Fe(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent Ti(1), three equivalent Ti(2), two equivalent Cr(3), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted CrTi6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with six equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with six equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra. In the second Cr site, Cr(2) is bonded to three equivalent Zr(1), three equivalent Zr(2), two equivalent Cr(3), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form CrZr6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with six equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with six equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra. In the third Cr site, Cr(3) is bonded to one Zr(1), two equivalent Zr(2), one Ti(2), two equivalent Ti(1), one Cr(1), one Cr(2), two equivalent Cr(3), and two equivalent Fe(1) atoms to form distorted CrZr3Ti3Cr4Fe2 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, corners with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with six equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with two equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, edges with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, faces with two equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, faces with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Zr(1), two equivalent Zr(2), one Ti(2), two equivalent Ti(1), one Cr(1), one Cr(2), and four equivalent Cr(3) atoms to form FeZr3Ti3Cr6 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with eight equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, edges with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, and faces with eight equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Zr(2), two equivalent Zr(1), one Ti(1), two equivalent Ti(2), one Cr(1), one Cr(2), two equivalent Fe(2), and two equivalent Fe(3) atoms to form distorted FeZr3Ti3Cr2Fe4 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with six equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, edges with two equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, faces with two equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, faces with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, and faces with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra. In the third Fe site, Fe(3) is bonded to one Zr(2), two equivalent Zr(1), one Ti(1), two equivalent Ti(2), one Cr(1), one Cr(2), and four equivalent Fe(2) atoms to form distorted FeZr3Ti3Cr2Fe4 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with eight equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, edges with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, edges with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with eight equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_ZrTi(CrFe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   4.904
_cell_length_c   7.929
_cell_angle_alpha   90.008
_cell_angle_beta   89.925
_cell_angle_gamma   119.686
_symmetry_Int_Tables_number   1
_cell_volume   167.272
_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
  Zr  Zr0  1  0.332  0.666  0.071  1.0
  Zr  Zr1  1  0.667  0.333  0.934  1.0
  Ti  Ti2  1  0.667  0.334  0.557  1.0
  Ti  Ti3  1  0.332  0.666  0.443  1.0
  Cr  Cr4  1  0.998  0.999  0.500  1.0
  Cr  Cr5  1  0.999  1.000  0.998  1.0
  Cr  Cr6  1  0.173  0.342  0.740  1.0
  Cr  Cr7  1  0.172  0.830  0.740  1.0
  Fe  Fe8  1  0.657  0.829  0.742  1.0
  Fe  Fe9  1  0.831  0.662  0.258  1.0
  Fe  Fe10  1  0.831  0.169  0.258  1.0
  Fe  Fe11  1  0.340  0.170  0.258  1.0
[/CIF]
.
The compound described by ZrTi(CrFe)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to three equivalent Zr(2), one Ti(2), two equivalent Cr(3), three equivalent Cr(2), one Fe(1), two equivalent Fe(3), and four equivalent Fe(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to three equivalent Zr(1), one Ti(1), three equivalent Cr(2), four equivalent Cr(3), one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Ti(2), three equivalent Cr(1), four equivalent Cr(3), one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Ti(1), two equivalent Cr(3), three equivalent Cr(1), one Fe(1), two equivalent Fe(3), and four equivalent Fe(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent Ti(1), three equivalent Ti(2), two equivalent Cr(3), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted CrTi6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with six equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with six equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra. In the second Cr site, Cr(2) is bonded to three equivalent Zr(1), three equivalent Zr(2), two equivalent Cr(3), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form CrZr6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with six equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with six equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra. In the third Cr site, Cr(3) is bonded to one Zr(1), two equivalent Zr(2), one Ti(2), two equivalent Ti(1), one Cr(1), one Cr(2), two equivalent Cr(3), and two equivalent Fe(1) atoms to form distorted CrZr3Ti3Cr4Fe2 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, corners with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with six equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with two equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, edges with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, faces with two equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, faces with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Zr(1), two equivalent Zr(2), one Ti(2), two equivalent Ti(1), one Cr(1), one Cr(2), and four equivalent Cr(3) atoms to form FeZr3Ti3Cr6 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with eight equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, edges with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, and faces with eight equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Zr(2), two equivalent Zr(1), one Ti(1), two equivalent Ti(2), one Cr(1), one Cr(2), two equivalent Fe(2), and two equivalent Fe(3) atoms to form distorted FeZr3Ti3Cr2Fe4 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with six equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, edges with two equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, edges with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, faces with two equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, faces with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra, and faces with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra. In the third Fe site, Fe(3) is bonded to one Zr(2), two equivalent Zr(1), one Ti(1), two equivalent Ti(2), one Cr(1), one Cr(2), and four equivalent Fe(2) atoms to form distorted FeZr3Ti3Cr2Fe4 cuboctahedra that share corners with two equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, corners with two equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, corners with four equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, corners with eight equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, edges with two equivalent Fe(3)Zr3Ti3Cr2Fe4 cuboctahedra, edges with four equivalent Fe(1)Zr3Ti3Cr6 cuboctahedra, faces with three equivalent Cr(1)Ti6Cr2Fe4 cuboctahedra, faces with three equivalent Cr(2)Zr6Cr2Fe4 cuboctahedra, faces with four equivalent Cr(3)Zr3Ti3Cr4Fe2 cuboctahedra, and faces with eight equivalent Fe(2)Zr3Ti3Cr2Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_ZrTi(CrFe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   4.904
_cell_length_c   7.929
_cell_angle_alpha   90.008
_cell_angle_beta   89.925
_cell_angle_gamma   119.686
_symmetry_Int_Tables_number   1
_cell_volume   167.272
_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
  Zr  Zr0  1  0.332  0.666  0.071  1.0
  Zr  Zr1  1  0.667  0.333  0.934  1.0
  Ti  Ti2  1  0.667  0.334  0.557  1.0
  Ti  Ti3  1  0.332  0.666  0.443  1.0
  Cr  Cr4  1  0.998  0.999  0.500  1.0
  Cr  Cr5  1  0.999  1.000  0.998  1.0
  Cr  Cr6  1  0.173  0.342  0.740  1.0
  Cr  Cr7  1  0.172  0.830  0.740  1.0
  Fe  Fe8  1  0.657  0.829  0.742  1.0
  Fe  Fe9  1  0.831  0.662  0.258  1.0
  Fe  Fe10  1  0.831  0.169  0.258  1.0
  Fe  Fe11  1  0.340  0.170  0.258  1.0
[/CIF]
.