The compound described by CaTb2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Tb(1) is bonded to six equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Tb(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing OCaTb3 trigonal pyramids. is represented by the CIF card [CIF]
data_CaTb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.876
_cell_length_b   6.876
_cell_length_c   6.876
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.880
_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  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Tb  Tb2  1  0.625  0.125  0.625  1.0
  Tb  Tb3  1  0.125  0.625  0.625  1.0
  Tb  Tb4  1  0.625  0.625  0.625  1.0
  Tb  Tb5  1  0.625  0.625  0.125  1.0
  O  O6  1  0.388  0.388  0.388  1.0
  O  O7  1  0.862  0.862  0.413  1.0
  O  O8  1  0.837  0.388  0.388  1.0
  O  O9  1  0.388  0.837  0.388  1.0
  O  O10  1  0.862  0.862  0.862  1.0
  O  O11  1  0.388  0.388  0.837  1.0
  O  O12  1  0.413  0.862  0.862  1.0
  O  O13  1  0.862  0.413  0.862  1.0
[/CIF]
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The compound described by CaTb2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Tb(1) is bonded to six equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Tb(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing OCaTb3 trigonal pyramids. is represented by the CIF card [CIF]
data_CaTb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.876
_cell_length_b   6.876
_cell_length_c   6.876
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.880
_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  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Tb  Tb2  1  0.625  0.125  0.625  1.0
  Tb  Tb3  1  0.125  0.625  0.625  1.0
  Tb  Tb4  1  0.625  0.625  0.625  1.0
  Tb  Tb5  1  0.625  0.625  0.125  1.0
  O  O6  1  0.388  0.388  0.388  1.0
  O  O7  1  0.862  0.862  0.413  1.0
  O  O8  1  0.837  0.388  0.388  1.0
  O  O9  1  0.388  0.837  0.388  1.0
  O  O10  1  0.862  0.862  0.862  1.0
  O  O11  1  0.388  0.388  0.837  1.0
  O  O12  1  0.413  0.862  0.862  1.0
  O  O13  1  0.862  0.413  0.862  1.0
[/CIF]
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