The structure described by CuZrTiO5 crystallizes in the orthorhombic P2_12_12_1 space group. Zr(1) is bonded in a 7-coordinate geometry to one O(2), one O(5), two equivalent O(1), and three equivalent O(3) atoms. Ti(1) is bonded to one O(2), one O(3), one O(5), and three equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Cu(1) atoms to form OZr2Cu2 tetrahedra that share corners with four equivalent O(1)Zr2Cu2 tetrahedra, corners with four equivalent O(3)Zr3Ti tetrahedra, and  an edgeedge with one O(3)Zr3Ti tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Cu(1) atom. In the third O site, O(3) is bonded to three equivalent Zr(1) and one Ti(1) atom to form OZr3Ti tetrahedra that share corners with two equivalent O(3)Zr3Ti tetrahedra, corners with four equivalent O(1)Zr2Cu2 tetrahedra,  an edgeedge with one O(1)Zr2Cu2 tetrahedra, and edges with two equivalent O(3)Zr3Ti tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Ti(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_ZrTiCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.619
_cell_length_b   6.798
_cell_length_c   14.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.864
_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
  Zr  Zr0  1  0.924  0.838  0.904  1.0
  Zr  Zr1  1  0.576  0.162  0.404  1.0
  Zr  Zr2  1  0.424  0.662  0.096  1.0
  Zr  Zr3  1  0.076  0.338  0.596  1.0
  Ti  Ti4  1  0.408  0.146  0.075  1.0
  Ti  Ti5  1  0.092  0.854  0.575  1.0
  Ti  Ti6  1  0.908  0.354  0.925  1.0
  Ti  Ti7  1  0.592  0.646  0.425  1.0
  Cu  Cu8  1  0.501  0.099  0.754  1.0
  Cu  Cu9  1  0.999  0.901  0.254  1.0
  Cu  Cu10  1  0.001  0.401  0.246  1.0
  Cu  Cu11  1  0.499  0.599  0.746  1.0
  O  O12  1  0.430  0.845  0.809  1.0
  O  O13  1  0.070  0.155  0.309  1.0
  O  O14  1  0.930  0.655  0.191  1.0
  O  O15  1  0.570  0.345  0.691  1.0
  O  O16  1  0.889  0.135  0.851  1.0
  O  O17  1  0.611  0.865  0.351  1.0
  O  O18  1  0.389  0.365  0.149  1.0
  O  O19  1  0.111  0.635  0.649  1.0
  O  O20  1  0.423  0.882  0.983  1.0
  O  O21  1  0.077  0.118  0.483  1.0
  O  O22  1  0.923  0.618  0.017  1.0
  O  O23  1  0.577  0.382  0.517  1.0
  O  O24  1  0.909  0.148  0.036  1.0
  O  O25  1  0.591  0.852  0.536  1.0
  O  O26  1  0.409  0.352  0.964  1.0
  O  O27  1  0.091  0.648  0.464  1.0
  O  O28  1  0.391  0.940  0.159  1.0
  O  O29  1  0.109  0.060  0.659  1.0
  O  O30  1  0.891  0.560  0.841  1.0
  O  O31  1  0.609  0.440  0.341  1.0
[/CIF]
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The structure described by CuZrTiO5 crystallizes in the orthorhombic P2_12_12_1 space group. Zr(1) is bonded in a 7-coordinate geometry to one O(2), one O(5), two equivalent O(1), and three equivalent O(3) atoms. Ti(1) is bonded to one O(2), one O(3), one O(5), and three equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Cu(1) atoms to form OZr2Cu2 tetrahedra that share corners with four equivalent O(1)Zr2Cu2 tetrahedra, corners with four equivalent O(3)Zr3Ti tetrahedra, and  an edgeedge with one O(3)Zr3Ti tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Cu(1) atom. In the third O site, O(3) is bonded to three equivalent Zr(1) and one Ti(1) atom to form OZr3Ti tetrahedra that share corners with two equivalent O(3)Zr3Ti tetrahedra, corners with four equivalent O(1)Zr2Cu2 tetrahedra,  an edgeedge with one O(1)Zr2Cu2 tetrahedra, and edges with two equivalent O(3)Zr3Ti tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Ti(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_ZrTiCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.619
_cell_length_b   6.798
_cell_length_c   14.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.864
_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
  Zr  Zr0  1  0.924  0.838  0.904  1.0
  Zr  Zr1  1  0.576  0.162  0.404  1.0
  Zr  Zr2  1  0.424  0.662  0.096  1.0
  Zr  Zr3  1  0.076  0.338  0.596  1.0
  Ti  Ti4  1  0.408  0.146  0.075  1.0
  Ti  Ti5  1  0.092  0.854  0.575  1.0
  Ti  Ti6  1  0.908  0.354  0.925  1.0
  Ti  Ti7  1  0.592  0.646  0.425  1.0
  Cu  Cu8  1  0.501  0.099  0.754  1.0
  Cu  Cu9  1  0.999  0.901  0.254  1.0
  Cu  Cu10  1  0.001  0.401  0.246  1.0
  Cu  Cu11  1  0.499  0.599  0.746  1.0
  O  O12  1  0.430  0.845  0.809  1.0
  O  O13  1  0.070  0.155  0.309  1.0
  O  O14  1  0.930  0.655  0.191  1.0
  O  O15  1  0.570  0.345  0.691  1.0
  O  O16  1  0.889  0.135  0.851  1.0
  O  O17  1  0.611  0.865  0.351  1.0
  O  O18  1  0.389  0.365  0.149  1.0
  O  O19  1  0.111  0.635  0.649  1.0
  O  O20  1  0.423  0.882  0.983  1.0
  O  O21  1  0.077  0.118  0.483  1.0
  O  O22  1  0.923  0.618  0.017  1.0
  O  O23  1  0.577  0.382  0.517  1.0
  O  O24  1  0.909  0.148  0.036  1.0
  O  O25  1  0.591  0.852  0.536  1.0
  O  O26  1  0.409  0.352  0.964  1.0
  O  O27  1  0.091  0.648  0.464  1.0
  O  O28  1  0.391  0.940  0.159  1.0
  O  O29  1  0.109  0.060  0.659  1.0
  O  O30  1  0.891  0.560  0.841  1.0
  O  O31  1  0.609  0.440  0.341  1.0
[/CIF]
.