The material structure described by ZrSiO4 crystallizes in the monoclinic P2/c space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Si(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing SiO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Si(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_ZrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.184
_cell_length_b   4.720
_cell_length_c   4.936
_cell_angle_alpha   81.365
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.394
_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
  Zr  Zr0  1  0.722  0.500  0.250  1.0
  Zr  Zr1  1  0.278  0.500  0.750  1.0
  Si  Si2  1  0.834  0.000  0.750  1.0
  Si  Si3  1  0.166  0.000  0.250  1.0
  O  O4  1  0.607  0.247  0.610  1.0
  O  O5  1  0.607  0.753  0.890  1.0
  O  O6  1  0.393  0.753  0.390  1.0
  O  O7  1  0.393  0.247  0.110  1.0
  O  O8  1  0.922  0.218  0.017  1.0
  O  O9  1  0.922  0.782  0.483  1.0
  O  O10  1  0.078  0.782  0.983  1.0
  O  O11  1  0.078  0.218  0.517  1.0
[/CIF]
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The material structure described by ZrSiO4 crystallizes in the monoclinic P2/c space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Si(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing SiO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Si(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_ZrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.184
_cell_length_b   4.720
_cell_length_c   4.936
_cell_angle_alpha   81.365
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.394
_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
  Zr  Zr0  1  0.722  0.500  0.250  1.0
  Zr  Zr1  1  0.278  0.500  0.750  1.0
  Si  Si2  1  0.834  0.000  0.750  1.0
  Si  Si3  1  0.166  0.000  0.250  1.0
  O  O4  1  0.607  0.247  0.610  1.0
  O  O5  1  0.607  0.753  0.890  1.0
  O  O6  1  0.393  0.753  0.390  1.0
  O  O7  1  0.393  0.247  0.110  1.0
  O  O8  1  0.922  0.218  0.017  1.0
  O  O9  1  0.922  0.782  0.483  1.0
  O  O10  1  0.078  0.782  0.983  1.0
  O  O11  1  0.078  0.218  0.517  1.0
[/CIF]
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