The crystal structure described by Zr2TiSnO8 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ZrO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra and edges with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zr(1), one Ti(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Zr2TiSnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   4.895
_cell_length_c   5.197
_cell_angle_alpha   89.169
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.533
_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  0.176  0.000  0.000  1.0
  Zr  Zr1  1  0.303  0.500  0.500  1.0
  Ti  Ti2  1  0.815  0.000  0.500  1.0
  Sn  Sn3  1  0.682  0.500  0.000  1.0
  O  O4  1  0.401  0.716  0.169  1.0
  O  O5  1  0.098  0.781  0.672  1.0
  O  O6  1  0.098  0.219  0.328  1.0
  O  O7  1  0.401  0.284  0.831  1.0
  O  O8  1  0.619  0.253  0.334  1.0
  O  O9  1  0.894  0.230  0.810  1.0
  O  O10  1  0.894  0.770  0.190  1.0
  O  O11  1  0.619  0.747  0.666  1.0
[/CIF]
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The crystal structure described by Zr2TiSnO8 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ZrO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra and edges with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zr(1), one Ti(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Zr2TiSnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   4.895
_cell_length_c   5.197
_cell_angle_alpha   89.169
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.533
_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  0.176  0.000  0.000  1.0
  Zr  Zr1  1  0.303  0.500  0.500  1.0
  Ti  Ti2  1  0.815  0.000  0.500  1.0
  Sn  Sn3  1  0.682  0.500  0.000  1.0
  O  O4  1  0.401  0.716  0.169  1.0
  O  O5  1  0.098  0.781  0.672  1.0
  O  O6  1  0.098  0.219  0.328  1.0
  O  O7  1  0.401  0.284  0.831  1.0
  O  O8  1  0.619  0.253  0.334  1.0
  O  O9  1  0.894  0.230  0.810  1.0
  O  O10  1  0.894  0.770  0.190  1.0
  O  O11  1  0.619  0.747  0.666  1.0
[/CIF]
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