The crystal structure described by Zr5Ti7O24 crystallizes in the monoclinic P2 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form distorted ZrO6 octahedra that share corners with four equivalent Zr(4)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(9) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the fourth Zr site, Zr(4) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms to form distorted ZrO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and  an edgeedge with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form distorted edge-sharing TiO6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(2), and one Ti(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(1), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(2), and one Ti(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Zr(3), one Ti(2), and one Ti(3) atom. is represented by the CIF file [CIF]
data_Zr5Ti7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   4.812
_cell_length_c   15.211
_cell_angle_alpha   88.433
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   413.485
_cell_formula_units_Z   1
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  0.814  0.000  0.000  1.0
  Zr  Zr1  1  0.205  0.000  0.500  1.0
  Zr  Zr2  1  0.804  0.989  0.334  1.0
  Zr  Zr3  1  0.804  0.011  0.666  1.0
  Zr  Zr4  1  0.311  0.500  0.000  1.0
  Ti  Ti5  1  0.189  0.012  0.830  1.0
  Ti  Ti6  1  0.189  0.988  0.170  1.0
  Ti  Ti7  1  0.323  0.487  0.330  1.0
  Ti  Ti8  1  0.323  0.513  0.670  1.0
  Ti  Ti9  1  0.686  0.489  0.167  1.0
  Ti  Ti10  1  0.686  0.511  0.833  1.0
  Ti  Ti11  1  0.671  0.500  0.500  1.0
  O  O12  1  0.888  0.242  0.551  1.0
  O  O13  1  0.113  0.200  0.063  1.0
  O  O14  1  0.894  0.260  0.888  1.0
  O  O15  1  0.883  0.213  0.218  1.0
  O  O16  1  0.111  0.229  0.384  1.0
  O  O17  1  0.123  0.241  0.723  1.0
  O  O18  1  0.609  0.287  0.062  1.0
  O  O19  1  0.383  0.247  0.226  1.0
  O  O20  1  0.396  0.289  0.567  1.0
  O  O21  1  0.391  0.261  0.887  1.0
  O  O22  1  0.592  0.261  0.400  1.0
  O  O23  1  0.616  0.318  0.727  1.0
  O  O24  1  0.383  0.753  0.774  1.0
  O  O25  1  0.609  0.713  0.938  1.0
  O  O26  1  0.391  0.739  0.113  1.0
  O  O27  1  0.396  0.711  0.433  1.0
  O  O28  1  0.616  0.682  0.273  1.0
  O  O29  1  0.592  0.739  0.600  1.0
  O  O30  1  0.113  0.800  0.937  1.0
  O  O31  1  0.123  0.759  0.277  1.0
  O  O32  1  0.883  0.787  0.782  1.0
  O  O33  1  0.894  0.740  0.112  1.0
  O  O34  1  0.888  0.758  0.449  1.0
  O  O35  1  0.111  0.771  0.616  1.0
[/CIF]
.
The crystal structure described by Zr5Ti7O24 crystallizes in the monoclinic P2 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form distorted ZrO6 octahedra that share corners with four equivalent Zr(4)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(9) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the fourth Zr site, Zr(4) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms to form distorted ZrO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and  an edgeedge with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form distorted edge-sharing TiO6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(2), and one Ti(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(1), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(2), and one Ti(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Zr(3), one Ti(2), and one Ti(3) atom. is represented by the CIF file [CIF]
data_Zr5Ti7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   4.812
_cell_length_c   15.211
_cell_angle_alpha   88.433
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   413.485
_cell_formula_units_Z   1
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  0.814  0.000  0.000  1.0
  Zr  Zr1  1  0.205  0.000  0.500  1.0
  Zr  Zr2  1  0.804  0.989  0.334  1.0
  Zr  Zr3  1  0.804  0.011  0.666  1.0
  Zr  Zr4  1  0.311  0.500  0.000  1.0
  Ti  Ti5  1  0.189  0.012  0.830  1.0
  Ti  Ti6  1  0.189  0.988  0.170  1.0
  Ti  Ti7  1  0.323  0.487  0.330  1.0
  Ti  Ti8  1  0.323  0.513  0.670  1.0
  Ti  Ti9  1  0.686  0.489  0.167  1.0
  Ti  Ti10  1  0.686  0.511  0.833  1.0
  Ti  Ti11  1  0.671  0.500  0.500  1.0
  O  O12  1  0.888  0.242  0.551  1.0
  O  O13  1  0.113  0.200  0.063  1.0
  O  O14  1  0.894  0.260  0.888  1.0
  O  O15  1  0.883  0.213  0.218  1.0
  O  O16  1  0.111  0.229  0.384  1.0
  O  O17  1  0.123  0.241  0.723  1.0
  O  O18  1  0.609  0.287  0.062  1.0
  O  O19  1  0.383  0.247  0.226  1.0
  O  O20  1  0.396  0.289  0.567  1.0
  O  O21  1  0.391  0.261  0.887  1.0
  O  O22  1  0.592  0.261  0.400  1.0
  O  O23  1  0.616  0.318  0.727  1.0
  O  O24  1  0.383  0.753  0.774  1.0
  O  O25  1  0.609  0.713  0.938  1.0
  O  O26  1  0.391  0.739  0.113  1.0
  O  O27  1  0.396  0.711  0.433  1.0
  O  O28  1  0.616  0.682  0.273  1.0
  O  O29  1  0.592  0.739  0.600  1.0
  O  O30  1  0.113  0.800  0.937  1.0
  O  O31  1  0.123  0.759  0.277  1.0
  O  O32  1  0.883  0.787  0.782  1.0
  O  O33  1  0.894  0.740  0.112  1.0
  O  O34  1  0.888  0.758  0.449  1.0
  O  O35  1  0.111  0.771  0.616  1.0
[/CIF]
.