The crystal structure described by La3ScO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. La(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LaO6 pentagonal pyramids that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent La(1)O6 pentagonal pyramids,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and edges with four equivalent La(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-46°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. In the second Sc site, Sc(2) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one Sc(1) atom to form a mixture of distorted edge and corner-sharing OLa3Sc trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent La(1) and one Sc(2) atom. is represented by the CIF card [CIF]
data_La3ScO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.949
_cell_length_b   6.949
_cell_length_c   6.949
_cell_angle_alpha   92.292
_cell_angle_beta   92.292
_cell_angle_gamma   92.292
_symmetry_Int_Tables_number   1
_cell_volume   334.703
_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
  La  La0  1  0.440  0.746  0.932  1.0
  La  La1  1  0.254  0.068  0.560  1.0
  La  La2  1  0.068  0.560  0.254  1.0
  La  La3  1  0.932  0.440  0.746  1.0
  La  La4  1  0.746  0.932  0.440  1.0
  La  La5  1  0.560  0.254  0.068  1.0
  Sc  Sc6  1  0.000  0.000  0.000  1.0
  Sc  Sc7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.079  0.702  0.936  1.0
  O  O9  1  0.298  0.064  0.921  1.0
  O  O10  1  0.203  0.412  0.539  1.0
  O  O11  1  0.064  0.921  0.298  1.0
  O  O12  1  0.588  0.461  0.797  1.0
  O  O13  1  0.461  0.797  0.588  1.0
  O  O14  1  0.539  0.203  0.412  1.0
  O  O15  1  0.412  0.539  0.203  1.0
  O  O16  1  0.936  0.079  0.702  1.0
  O  O17  1  0.797  0.588  0.461  1.0
  O  O18  1  0.702  0.936  0.079  1.0
  O  O19  1  0.921  0.298  0.064  1.0
[/CIF]
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The crystal structure described by La3ScO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. La(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LaO6 pentagonal pyramids that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent La(1)O6 pentagonal pyramids,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and edges with four equivalent La(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-46°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. In the second Sc site, Sc(2) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one Sc(1) atom to form a mixture of distorted edge and corner-sharing OLa3Sc trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent La(1) and one Sc(2) atom. is represented by the CIF card [CIF]
data_La3ScO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.949
_cell_length_b   6.949
_cell_length_c   6.949
_cell_angle_alpha   92.292
_cell_angle_beta   92.292
_cell_angle_gamma   92.292
_symmetry_Int_Tables_number   1
_cell_volume   334.703
_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
  La  La0  1  0.440  0.746  0.932  1.0
  La  La1  1  0.254  0.068  0.560  1.0
  La  La2  1  0.068  0.560  0.254  1.0
  La  La3  1  0.932  0.440  0.746  1.0
  La  La4  1  0.746  0.932  0.440  1.0
  La  La5  1  0.560  0.254  0.068  1.0
  Sc  Sc6  1  0.000  0.000  0.000  1.0
  Sc  Sc7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.079  0.702  0.936  1.0
  O  O9  1  0.298  0.064  0.921  1.0
  O  O10  1  0.203  0.412  0.539  1.0
  O  O11  1  0.064  0.921  0.298  1.0
  O  O12  1  0.588  0.461  0.797  1.0
  O  O13  1  0.461  0.797  0.588  1.0
  O  O14  1  0.539  0.203  0.412  1.0
  O  O15  1  0.412  0.539  0.203  1.0
  O  O16  1  0.936  0.079  0.702  1.0
  O  O17  1  0.797  0.588  0.461  1.0
  O  O18  1  0.702  0.936  0.079  1.0
  O  O19  1  0.921  0.298  0.064  1.0
[/CIF]
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