The crystal structure described by CaSb2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the second Ca site, Ca(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 tetrahedra, and edges with six equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2) and three equivalent O(1) atoms to form SbO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Sb site, Sb(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 tetrahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with four equivalent Sb(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Sb(1), and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sb(1) and three equivalent Sb(2) atoms. In the third O site, O(3) is bonded to one Ca(1) and three equivalent Sb(2) atoms to form a mixture of distorted corner and edge-sharing OCaSb3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Sb(2) atoms to form distorted OCa2Sb2 tetrahedra that share corners with two equivalent O(4)Ca2Sb2 tetrahedra,  a cornercorner with one O(3)CaSb3 trigonal pyramid, edges with two equivalent O(4)Ca2Sb2 tetrahedra, and  an edgeedge with one O(3)CaSb3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   6.982
_cell_length_c   6.982
_cell_angle_alpha   58.829
_cell_angle_beta   58.829
_cell_angle_gamma   58.829
_symmetry_Int_Tables_number   1
_cell_volume   234.190
_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  0.998  0.998  0.998  1.0
  Ca  Ca1  1  0.378  0.378  0.378  1.0
  Sb  Sb2  1  0.751  0.751  0.751  1.0
  Sb  Sb3  1  0.375  0.375  0.883  1.0
  Sb  Sb4  1  0.375  0.883  0.375  1.0
  Sb  Sb5  1  0.883  0.375  0.375  1.0
  O  O6  1  0.131  0.623  0.623  1.0
  O  O7  1  0.623  0.131  0.623  1.0
  O  O8  1  0.623  0.623  0.131  1.0
  O  O9  1  0.626  0.626  0.626  1.0
  O  O10  1  0.139  0.139  0.139  1.0
  O  O11  1  0.134  0.134  0.579  1.0
  O  O12  1  0.134  0.579  0.134  1.0
  O  O13  1  0.579  0.134  0.134  1.0
[/CIF]
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The crystal structure described by CaSb2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the second Ca site, Ca(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 tetrahedra, and edges with six equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2) and three equivalent O(1) atoms to form SbO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Sb site, Sb(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Sb(1)O4 tetrahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with four equivalent Sb(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Sb(1), and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sb(1) and three equivalent Sb(2) atoms. In the third O site, O(3) is bonded to one Ca(1) and three equivalent Sb(2) atoms to form a mixture of distorted corner and edge-sharing OCaSb3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Sb(2) atoms to form distorted OCa2Sb2 tetrahedra that share corners with two equivalent O(4)Ca2Sb2 tetrahedra,  a cornercorner with one O(3)CaSb3 trigonal pyramid, edges with two equivalent O(4)Ca2Sb2 tetrahedra, and  an edgeedge with one O(3)CaSb3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   6.982
_cell_length_c   6.982
_cell_angle_alpha   58.829
_cell_angle_beta   58.829
_cell_angle_gamma   58.829
_symmetry_Int_Tables_number   1
_cell_volume   234.190
_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  0.998  0.998  0.998  1.0
  Ca  Ca1  1  0.378  0.378  0.378  1.0
  Sb  Sb2  1  0.751  0.751  0.751  1.0
  Sb  Sb3  1  0.375  0.375  0.883  1.0
  Sb  Sb4  1  0.375  0.883  0.375  1.0
  Sb  Sb5  1  0.883  0.375  0.375  1.0
  O  O6  1  0.131  0.623  0.623  1.0
  O  O7  1  0.623  0.131  0.623  1.0
  O  O8  1  0.623  0.623  0.131  1.0
  O  O9  1  0.626  0.626  0.626  1.0
  O  O10  1  0.139  0.139  0.139  1.0
  O  O11  1  0.134  0.134  0.579  1.0
  O  O12  1  0.134  0.579  0.134  1.0
  O  O13  1  0.579  0.134  0.134  1.0
[/CIF]
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