The material described by HfSiO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. Hf(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 3-coordinate geometry to two equivalent Hf(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_HfSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.511
_cell_length_c   5.511
_cell_angle_alpha   107.030
_cell_angle_beta   107.030
_cell_angle_gamma   114.472
_symmetry_Int_Tables_number   1
_cell_volume   128.079
_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
  Hf  Hf0  1  0.125  0.875  0.250  1.0
  Hf  Hf1  1  0.875  0.125  0.750  1.0
  Si  Si2  1  0.375  0.625  0.750  1.0
  Si  Si3  1  0.625  0.375  0.250  1.0
  O  O4  1  0.806  0.371  0.065  1.0
  O  O5  1  0.741  0.806  0.935  1.0
  O  O6  1  0.371  0.806  0.565  1.0
  O  O7  1  0.806  0.741  0.435  1.0
  O  O8  1  0.259  0.194  0.065  1.0
  O  O9  1  0.194  0.629  0.935  1.0
  O  O10  1  0.194  0.259  0.565  1.0
  O  O11  1  0.629  0.194  0.435  1.0
[/CIF]
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The material described by HfSiO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. Hf(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 3-coordinate geometry to two equivalent Hf(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_HfSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.511
_cell_length_c   5.511
_cell_angle_alpha   107.030
_cell_angle_beta   107.030
_cell_angle_gamma   114.472
_symmetry_Int_Tables_number   1
_cell_volume   128.079
_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
  Hf  Hf0  1  0.125  0.875  0.250  1.0
  Hf  Hf1  1  0.875  0.125  0.750  1.0
  Si  Si2  1  0.375  0.625  0.750  1.0
  Si  Si3  1  0.625  0.375  0.250  1.0
  O  O4  1  0.806  0.371  0.065  1.0
  O  O5  1  0.741  0.806  0.935  1.0
  O  O6  1  0.371  0.806  0.565  1.0
  O  O7  1  0.806  0.741  0.435  1.0
  O  O8  1  0.259  0.194  0.065  1.0
  O  O9  1  0.194  0.629  0.935  1.0
  O  O10  1  0.194  0.259  0.565  1.0
  O  O11  1  0.629  0.194  0.435  1.0
[/CIF]
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