The compound described by CaSb2O6 crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), and four equivalent O(2) atoms. Sb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ca(1) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.555
_cell_length_c   7.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.844
_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
  Ca  Ca0  1  0.514  0.309  0.500  1.0
  Ca  Ca1  1  0.014  0.691  0.000  1.0
  Sb  Sb2  1  0.502  0.758  0.750  1.0
  Sb  Sb3  1  0.002  0.242  0.750  1.0
  Sb  Sb4  1  0.002  0.242  0.250  1.0
  Sb  Sb5  1  0.502  0.758  0.250  1.0
  O  O6  1  0.696  0.053  0.298  1.0
  O  O7  1  0.196  0.947  0.202  1.0
  O  O8  1  0.793  0.539  0.710  1.0
  O  O9  1  0.293  0.461  0.790  1.0
  O  O10  1  0.293  0.461  0.210  1.0
  O  O11  1  0.793  0.539  0.290  1.0
  O  O12  1  0.196  0.947  0.798  1.0
  O  O13  1  0.696  0.053  0.702  1.0
  O  O14  1  0.094  0.231  0.500  1.0
  O  O15  1  0.594  0.769  0.000  1.0
  O  O16  1  0.420  0.725  0.500  1.0
  O  O17  1  0.920  0.275  0.000  1.0
[/CIF]
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The compound described by CaSb2O6 crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), and four equivalent O(2) atoms. Sb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ca(1) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.555
_cell_length_c   7.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.844
_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
  Ca  Ca0  1  0.514  0.309  0.500  1.0
  Ca  Ca1  1  0.014  0.691  0.000  1.0
  Sb  Sb2  1  0.502  0.758  0.750  1.0
  Sb  Sb3  1  0.002  0.242  0.750  1.0
  Sb  Sb4  1  0.002  0.242  0.250  1.0
  Sb  Sb5  1  0.502  0.758  0.250  1.0
  O  O6  1  0.696  0.053  0.298  1.0
  O  O7  1  0.196  0.947  0.202  1.0
  O  O8  1  0.793  0.539  0.710  1.0
  O  O9  1  0.293  0.461  0.790  1.0
  O  O10  1  0.293  0.461  0.210  1.0
  O  O11  1  0.793  0.539  0.290  1.0
  O  O12  1  0.196  0.947  0.798  1.0
  O  O13  1  0.696  0.053  0.702  1.0
  O  O14  1  0.094  0.231  0.500  1.0
  O  O15  1  0.594  0.769  0.000  1.0
  O  O16  1  0.420  0.725  0.500  1.0
  O  O17  1  0.920  0.275  0.000  1.0
[/CIF]
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