The crystal structure described by ZnSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-79°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-81°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. is represented by the CIF card [CIF]
data_ZnSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   5.491
_cell_length_c   5.560
_cell_angle_alpha   88.333
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.051
_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
  Zn  Zn0  1  0.750  0.523  0.495  1.0
  Zn  Zn1  1  0.250  0.477  0.505  1.0
  Zn  Zn2  1  0.750  0.014  0.028  1.0
  Zn  Zn3  1  0.250  0.986  0.972  1.0
  Sb  Sb4  1  0.500  0.000  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.429  0.650  0.310  1.0
  O  O9  1  0.070  0.179  0.138  1.0
  O  O10  1  0.929  0.350  0.690  1.0
  O  O11  1  0.570  0.821  0.862  1.0
  O  O12  1  0.430  0.179  0.138  1.0
  O  O13  1  0.930  0.821  0.862  1.0
  O  O14  1  0.250  0.605  0.865  1.0
  O  O15  1  0.071  0.650  0.310  1.0
  O  O16  1  0.750  0.875  0.371  1.0
  O  O17  1  0.571  0.350  0.690  1.0
  O  O18  1  0.750  0.395  0.135  1.0
  O  O19  1  0.250  0.125  0.629  1.0
[/CIF]
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The crystal structure described by ZnSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-79°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-81°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. is represented by the CIF card [CIF]
data_ZnSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   5.491
_cell_length_c   5.560
_cell_angle_alpha   88.333
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.051
_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
  Zn  Zn0  1  0.750  0.523  0.495  1.0
  Zn  Zn1  1  0.250  0.477  0.505  1.0
  Zn  Zn2  1  0.750  0.014  0.028  1.0
  Zn  Zn3  1  0.250  0.986  0.972  1.0
  Sb  Sb4  1  0.500  0.000  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.429  0.650  0.310  1.0
  O  O9  1  0.070  0.179  0.138  1.0
  O  O10  1  0.929  0.350  0.690  1.0
  O  O11  1  0.570  0.821  0.862  1.0
  O  O12  1  0.430  0.179  0.138  1.0
  O  O13  1  0.930  0.821  0.862  1.0
  O  O14  1  0.250  0.605  0.865  1.0
  O  O15  1  0.071  0.650  0.310  1.0
  O  O16  1  0.750  0.875  0.371  1.0
  O  O17  1  0.571  0.350  0.690  1.0
  O  O18  1  0.750  0.395  0.135  1.0
  O  O19  1  0.250  0.125  0.629  1.0
[/CIF]
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