The compound described by Zr2SO3 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. Zr(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded to four equivalent Zr(1) atoms to form SZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(1)Zr4 tetrahedra, edges with two equivalent O(2)Zr4 tetrahedra, and edges with four equivalent O(3)Zr4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent S(1)Zr4 tetrahedra, edges with two equivalent O(3)Zr4 tetrahedra, and edges with four equivalent O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)Zr4 tetrahedra, edges with two equivalent S(1)Zr4 tetrahedra, and edges with four equivalent O(1)Zr4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(1)Zr4 tetrahedra, and edges with four equivalent S(1)Zr4 tetrahedra. is represented by the CIF card [CIF]
data_Zr2SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   3.859
_cell_length_c   5.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.276
_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  0.500  0.000  0.781  1.0
  Zr  Zr1  1  0.000  0.500  0.219  1.0
  S  S2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Zr2SO3 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. Zr(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded to four equivalent Zr(1) atoms to form SZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(1)Zr4 tetrahedra, edges with two equivalent O(2)Zr4 tetrahedra, and edges with four equivalent O(3)Zr4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent S(1)Zr4 tetrahedra, edges with two equivalent O(3)Zr4 tetrahedra, and edges with four equivalent O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)Zr4 tetrahedra, edges with two equivalent S(1)Zr4 tetrahedra, and edges with four equivalent O(1)Zr4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(1)Zr4 tetrahedra, and edges with four equivalent S(1)Zr4 tetrahedra. is represented by the CIF card [CIF]
data_Zr2SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   3.859
_cell_length_c   5.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.276
_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  0.500  0.000  0.781  1.0
  Zr  Zr1  1  0.000  0.500  0.219  1.0
  S  S2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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