The material described by ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded to six equivalent O(1) atoms to form distorted edge-sharing ZrO6 octahedra. Si(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Zr(1) and two equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing OZr3Si2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrSiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.117
_cell_length_b   7.117
_cell_length_c   7.117
_cell_angle_alpha   127.451
_cell_angle_beta   127.451
_cell_angle_gamma   77.516
_symmetry_Int_Tables_number   1
_cell_volume   220.321
_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  0.875  0.625  0.250  1.0
  Zr  Zr1  1  0.375  0.625  0.750  1.0
  Zr  Zr2  1  0.375  0.625  0.250  1.0
  Zr  Zr3  1  0.375  0.125  0.750  1.0
  Si  Si4  1  0.375  0.125  0.250  1.0
  Si  Si5  1  0.875  0.125  0.750  1.0
  Si  Si6  1  0.875  0.125  0.250  1.0
  Si  Si7  1  0.875  0.625  0.750  1.0
  O  O8  1  0.175  0.436  0.261  1.0
  O  O9  1  0.175  0.914  0.739  1.0
  O  O10  1  0.186  0.425  0.761  1.0
  O  O11  1  0.575  0.814  0.239  1.0
  O  O12  1  0.664  0.425  0.239  1.0
  O  O13  1  0.575  0.336  0.761  1.0
  O  O14  1  0.564  0.825  0.739  1.0
  O  O15  1  0.086  0.825  0.261  1.0
[/CIF]
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The material described by ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded to six equivalent O(1) atoms to form distorted edge-sharing ZrO6 octahedra. Si(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Zr(1) and two equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing OZr3Si2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrSiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.117
_cell_length_b   7.117
_cell_length_c   7.117
_cell_angle_alpha   127.451
_cell_angle_beta   127.451
_cell_angle_gamma   77.516
_symmetry_Int_Tables_number   1
_cell_volume   220.321
_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  0.875  0.625  0.250  1.0
  Zr  Zr1  1  0.375  0.625  0.750  1.0
  Zr  Zr2  1  0.375  0.625  0.250  1.0
  Zr  Zr3  1  0.375  0.125  0.750  1.0
  Si  Si4  1  0.375  0.125  0.250  1.0
  Si  Si5  1  0.875  0.125  0.750  1.0
  Si  Si6  1  0.875  0.125  0.250  1.0
  Si  Si7  1  0.875  0.625  0.750  1.0
  O  O8  1  0.175  0.436  0.261  1.0
  O  O9  1  0.175  0.914  0.739  1.0
  O  O10  1  0.186  0.425  0.761  1.0
  O  O11  1  0.575  0.814  0.239  1.0
  O  O12  1  0.664  0.425  0.239  1.0
  O  O13  1  0.575  0.336  0.761  1.0
  O  O14  1  0.564  0.825  0.739  1.0
  O  O15  1  0.086  0.825  0.261  1.0
[/CIF]
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