The material described by Zn3Sb2O7 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with eight equivalent Sb(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-80°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with five equivalent Sb(1)O6 octahedra and corners with six equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-80°. Sb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with five equivalent Sb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with five equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Zn(2) and one Sb(1) atom to form OZn3Sb tetrahedra that share  a cornercorner with one O(4)Zn2Sb2 tetrahedra and corners with six equivalent O(1)Zn3Sb tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Zn(1) and two equivalent Sb(1) atoms to form distorted OZn2Sb2 tetrahedra that share corners with two equivalent O(4)Zn2Sb2 tetrahedra and corners with two equivalent O(1)Zn3Sb tetrahedra. is represented by the CIF file [CIF]
data_Zn3Sb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.106
_cell_length_b   10.106
_cell_length_c   5.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.303
_symmetry_Int_Tables_number   1
_cell_volume   292.833
_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
  Zn  Zn0  1  0.744  0.744  0.256  1.0
  Zn  Zn1  1  0.256  0.256  0.756  1.0
  Zn  Zn2  1  0.994  0.581  0.213  1.0
  Zn  Zn3  1  0.006  0.419  0.713  1.0
  Zn  Zn4  1  0.581  0.994  0.213  1.0
  Zn  Zn5  1  0.419  0.006  0.713  1.0
  Sb  Sb6  1  0.154  0.363  0.247  1.0
  Sb  Sb7  1  0.846  0.637  0.747  1.0
  Sb  Sb8  1  0.637  0.846  0.747  1.0
  Sb  Sb9  1  0.363  0.154  0.247  1.0
  O  O10  1  0.341  0.931  0.340  1.0
  O  O11  1  0.659  0.069  0.840  1.0
  O  O12  1  0.069  0.659  0.840  1.0
  O  O13  1  0.931  0.341  0.340  1.0
  O  O14  1  0.553  0.269  0.924  1.0
  O  O15  1  0.447  0.731  0.424  1.0
  O  O16  1  0.731  0.447  0.424  1.0
  O  O17  1  0.269  0.553  0.924  1.0
  O  O18  1  0.000  0.845  0.083  1.0
  O  O19  1  1.000  0.155  0.583  1.0
  O  O20  1  0.393  0.393  0.111  1.0
  O  O21  1  0.607  0.607  0.611  1.0
  O  O22  1  0.845  0.000  0.083  1.0
  O  O23  1  0.155  1.000  0.583  1.0
[/CIF]
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The material described by Zn3Sb2O7 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with eight equivalent Sb(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-80°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with five equivalent Sb(1)O6 octahedra and corners with six equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-80°. Sb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with five equivalent Sb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with five equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Zn(2) and one Sb(1) atom to form OZn3Sb tetrahedra that share  a cornercorner with one O(4)Zn2Sb2 tetrahedra and corners with six equivalent O(1)Zn3Sb tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Zn(1) and two equivalent Sb(1) atoms to form distorted OZn2Sb2 tetrahedra that share corners with two equivalent O(4)Zn2Sb2 tetrahedra and corners with two equivalent O(1)Zn3Sb tetrahedra. is represented by the CIF file [CIF]
data_Zn3Sb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.106
_cell_length_b   10.106
_cell_length_c   5.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.303
_symmetry_Int_Tables_number   1
_cell_volume   292.833
_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
  Zn  Zn0  1  0.744  0.744  0.256  1.0
  Zn  Zn1  1  0.256  0.256  0.756  1.0
  Zn  Zn2  1  0.994  0.581  0.213  1.0
  Zn  Zn3  1  0.006  0.419  0.713  1.0
  Zn  Zn4  1  0.581  0.994  0.213  1.0
  Zn  Zn5  1  0.419  0.006  0.713  1.0
  Sb  Sb6  1  0.154  0.363  0.247  1.0
  Sb  Sb7  1  0.846  0.637  0.747  1.0
  Sb  Sb8  1  0.637  0.846  0.747  1.0
  Sb  Sb9  1  0.363  0.154  0.247  1.0
  O  O10  1  0.341  0.931  0.340  1.0
  O  O11  1  0.659  0.069  0.840  1.0
  O  O12  1  0.069  0.659  0.840  1.0
  O  O13  1  0.931  0.341  0.340  1.0
  O  O14  1  0.553  0.269  0.924  1.0
  O  O15  1  0.447  0.731  0.424  1.0
  O  O16  1  0.731  0.447  0.424  1.0
  O  O17  1  0.269  0.553  0.924  1.0
  O  O18  1  0.000  0.845  0.083  1.0
  O  O19  1  1.000  0.155  0.583  1.0
  O  O20  1  0.393  0.393  0.111  1.0
  O  O21  1  0.607  0.607  0.611  1.0
  O  O22  1  0.845  0.000  0.083  1.0
  O  O23  1  0.155  1.000  0.583  1.0
[/CIF]
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