The material structure described by TiSiO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. Ti(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.096
_cell_length_b   6.096
_cell_length_c   6.096
_cell_angle_alpha   135.669
_cell_angle_beta   135.669
_cell_angle_gamma   64.492
_symmetry_Int_Tables_number   1
_cell_volume   109.094
_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
  Ti  Ti0  1  0.250  0.750  0.500  1.0
  Ti  Ti1  1  0.500  0.500  0.000  1.0
  Si  Si2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.092  0.505  0.943  1.0
  O  O5  1  0.561  0.149  0.057  1.0
  O  O6  1  0.899  0.342  0.087  1.0
  O  O7  1  0.255  0.811  0.913  1.0
  O  O8  1  0.658  0.745  0.557  1.0
  O  O9  1  0.189  0.101  0.443  1.0
  O  O10  1  0.851  0.908  0.413  1.0
  O  O11  1  0.495  0.439  0.587  1.0
[/CIF]
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The material structure described by TiSiO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. Ti(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.096
_cell_length_b   6.096
_cell_length_c   6.096
_cell_angle_alpha   135.669
_cell_angle_beta   135.669
_cell_angle_gamma   64.492
_symmetry_Int_Tables_number   1
_cell_volume   109.094
_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
  Ti  Ti0  1  0.250  0.750  0.500  1.0
  Ti  Ti1  1  0.500  0.500  0.000  1.0
  Si  Si2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.092  0.505  0.943  1.0
  O  O5  1  0.561  0.149  0.057  1.0
  O  O6  1  0.899  0.342  0.087  1.0
  O  O7  1  0.255  0.811  0.913  1.0
  O  O8  1  0.658  0.745  0.557  1.0
  O  O9  1  0.189  0.101  0.443  1.0
  O  O10  1  0.851  0.908  0.413  1.0
  O  O11  1  0.495  0.439  0.587  1.0
[/CIF]
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