The material described by Ti2ZrO crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to twelve equivalent Ti(1) atoms to form distorted face-sharing ZrTi12 cuboctahedra. In the second Zr site, Zr(2) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. Ti(1) is bonded in a single-bond geometry to three equivalent Zr(1) and one O(1) atom. O(1) is bonded in a distorted linear geometry to three equivalent Zr(2) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.652
_cell_length_b   4.652
_cell_length_c   6.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   125.822
_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  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ti  Ti2  1  0.667  0.333  0.716  1.0
  Ti  Ti3  1  0.333  0.667  0.284  1.0
  Ti  Ti4  1  0.333  0.667  0.716  1.0
  Ti  Ti5  1  0.667  0.333  0.284  1.0
  O  O6  1  0.333  0.667  0.000  1.0
  O  O7  1  0.667  0.333  0.000  1.0
[/CIF]
.
The material described by Ti2ZrO crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to twelve equivalent Ti(1) atoms to form distorted face-sharing ZrTi12 cuboctahedra. In the second Zr site, Zr(2) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. Ti(1) is bonded in a single-bond geometry to three equivalent Zr(1) and one O(1) atom. O(1) is bonded in a distorted linear geometry to three equivalent Zr(2) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.652
_cell_length_b   4.652
_cell_length_c   6.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   125.822
_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  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ti  Ti2  1  0.667  0.333  0.716  1.0
  Ti  Ti3  1  0.333  0.667  0.284  1.0
  Ti  Ti4  1  0.333  0.667  0.716  1.0
  Ti  Ti5  1  0.667  0.333  0.284  1.0
  O  O6  1  0.333  0.667  0.000  1.0
  O  O7  1  0.667  0.333  0.000  1.0
[/CIF]
.