The material structure described by Ca2LaSbO6 crystallizes in the tetragonal P4/mnc space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(1), one La(1), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(1), one La(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OCa2LaSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2LaSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   8.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.308
_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  0.500  0.000  0.750  1.0
  Ca  Ca1  1  0.000  0.500  0.750  1.0
  Ca  Ca2  1  0.500  0.000  0.250  1.0
  Ca  Ca3  1  0.000  0.500  0.250  1.0
  La  La4  1  0.500  0.500  0.500  1.0
  La  La5  1  0.000  0.000  0.000  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.500  0.500  0.767  1.0
  O  O9  1  0.000  0.000  0.733  1.0
  O  O10  1  0.500  0.500  0.233  1.0
  O  O11  1  0.000  0.000  0.267  1.0
  O  O12  1  0.688  0.141  0.500  1.0
  O  O13  1  0.312  0.859  0.500  1.0
  O  O14  1  0.859  0.688  0.500  1.0
  O  O15  1  0.141  0.312  0.500  1.0
  O  O16  1  0.812  0.641  0.000  1.0
  O  O17  1  0.188  0.359  0.000  1.0
  O  O18  1  0.641  0.188  0.000  1.0
  O  O19  1  0.359  0.812  0.000  1.0
[/CIF]
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The material structure described by Ca2LaSbO6 crystallizes in the tetragonal P4/mnc space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(1), one La(1), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(1), one La(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OCa2LaSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2LaSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   8.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.308
_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  0.500  0.000  0.750  1.0
  Ca  Ca1  1  0.000  0.500  0.750  1.0
  Ca  Ca2  1  0.500  0.000  0.250  1.0
  Ca  Ca3  1  0.000  0.500  0.250  1.0
  La  La4  1  0.500  0.500  0.500  1.0
  La  La5  1  0.000  0.000  0.000  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.500  0.500  0.767  1.0
  O  O9  1  0.000  0.000  0.733  1.0
  O  O10  1  0.500  0.500  0.233  1.0
  O  O11  1  0.000  0.000  0.267  1.0
  O  O12  1  0.688  0.141  0.500  1.0
  O  O13  1  0.312  0.859  0.500  1.0
  O  O14  1  0.859  0.688  0.500  1.0
  O  O15  1  0.141  0.312  0.500  1.0
  O  O16  1  0.812  0.641  0.000  1.0
  O  O17  1  0.188  0.359  0.000  1.0
  O  O18  1  0.641  0.188  0.000  1.0
  O  O19  1  0.359  0.812  0.000  1.0
[/CIF]
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