The material described by CaTa2O6 crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra and faces with eight equivalent Ta(1)O6 octahedra. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_CaTa2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.610
_cell_length_b   5.610
_cell_length_c   5.610
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   124.843
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ta  Ta1  1  0.750  0.750  0.750  1.0
  Ta  Ta2  1  0.250  0.250  0.250  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.000  0.500  0.000  1.0
[/CIF]
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The material described by CaTa2O6 crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra and faces with eight equivalent Ta(1)O6 octahedra. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_CaTa2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.610
_cell_length_b   5.610
_cell_length_c   5.610
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   124.843
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ta  Ta1  1  0.750  0.750  0.750  1.0
  Ta  Ta2  1  0.250  0.250  0.250  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.000  0.500  0.000  1.0
[/CIF]
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