The material structure described by CaLa2VO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. La(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. O(1) is bonded in a 3-coordinate geometry to one Ca(1), three equivalent La(1), and one V(1) atom. is represented by the CIF file [CIF]
data_CaLa2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   5.692
_cell_angle_alpha   62.374
_cell_angle_beta   62.374
_cell_angle_gamma   62.374
_symmetry_Int_Tables_number   1
_cell_volume   137.289
_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
  La  La1  1  0.761  0.761  0.761  1.0
  La  La2  1  0.239  0.239  0.239  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.786  0.329  0.131  1.0
  O  O5  1  0.131  0.786  0.329  1.0
  O  O6  1  0.329  0.131  0.786  1.0
  O  O7  1  0.214  0.671  0.869  1.0
  O  O8  1  0.671  0.869  0.214  1.0
  O  O9  1  0.869  0.214  0.671  1.0
[/CIF]
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The material structure described by CaLa2VO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. La(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. O(1) is bonded in a 3-coordinate geometry to one Ca(1), three equivalent La(1), and one V(1) atom. is represented by the CIF file [CIF]
data_CaLa2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   5.692
_cell_angle_alpha   62.374
_cell_angle_beta   62.374
_cell_angle_gamma   62.374
_symmetry_Int_Tables_number   1
_cell_volume   137.289
_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
  La  La1  1  0.761  0.761  0.761  1.0
  La  La2  1  0.239  0.239  0.239  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.786  0.329  0.131  1.0
  O  O5  1  0.131  0.786  0.329  1.0
  O  O6  1  0.329  0.131  0.786  1.0
  O  O7  1  0.214  0.671  0.869  1.0
  O  O8  1  0.671  0.869  0.214  1.0
  O  O9  1  0.869  0.214  0.671  1.0
[/CIF]
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