The compound described by Zr2Si2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted ZrO12 cuboctahedra that share corners with four equivalent Zr(2)O12 cuboctahedra, faces with four equivalent Zr(2)O12 cuboctahedra, and faces with eight equivalent Si(1)O5 square pyramids. Si(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted SiO5 square pyramids that share corners with five equivalent Si(1)O5 square pyramids and faces with four equivalent Zr(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing OZr4Si2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second O site, O(2) is bonded in a linear geometry to four equivalent Zr(2) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Zr2Si2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.896
_cell_length_b   3.896
_cell_length_c   5.959
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.451
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.500  0.500  0.203  1.0
  Si  Si3  1  0.500  0.500  0.797  1.0
  O  O4  1  0.500  0.000  0.243  1.0
  O  O5  1  0.500  0.000  0.757  1.0
  O  O6  1  0.000  0.500  0.243  1.0
  O  O7  1  0.000  0.500  0.757  1.0
  O  O8  1  0.500  0.500  0.500  1.0
[/CIF]
.
The compound described by Zr2Si2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted ZrO12 cuboctahedra that share corners with four equivalent Zr(2)O12 cuboctahedra, faces with four equivalent Zr(2)O12 cuboctahedra, and faces with eight equivalent Si(1)O5 square pyramids. Si(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted SiO5 square pyramids that share corners with five equivalent Si(1)O5 square pyramids and faces with four equivalent Zr(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1), two equivalent Zr(2), and two equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing OZr4Si2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second O site, O(2) is bonded in a linear geometry to four equivalent Zr(2) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Zr2Si2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.896
_cell_length_b   3.896
_cell_length_c   5.959
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.451
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.500  0.500  0.203  1.0
  Si  Si3  1  0.500  0.500  0.797  1.0
  O  O4  1  0.500  0.000  0.243  1.0
  O  O5  1  0.500  0.000  0.757  1.0
  O  O6  1  0.000  0.500  0.243  1.0
  O  O7  1  0.000  0.500  0.757  1.0
  O  O8  1  0.500  0.500  0.500  1.0
[/CIF]
.