The compound described by La2Sc2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ScO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 28°. In the second Sc site, Sc(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form ScO4 trigonal pyramids that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent La(1), one Sc(1), and one Sc(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sc(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Sc2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   9.047
_cell_length_c   9.047
_cell_angle_alpha   142.936
_cell_angle_beta   142.585
_cell_angle_gamma   53.685
_symmetry_Int_Tables_number   1
_cell_volume   269.364
_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  0.126  0.624  0.498  1.0
  La  La1  1  0.874  0.372  0.498  1.0
  La  La2  1  0.626  0.124  0.498  1.0
  La  La3  1  0.374  0.872  0.498  1.0
  Sc  Sc4  1  0.000  0.006  0.006  1.0
  Sc  Sc5  1  0.500  0.506  0.006  1.0
  Sc  Sc6  1  0.263  0.269  0.032  1.0
  Sc  Sc7  1  0.737  0.769  0.007  1.0
  O  O8  1  0.212  0.721  0.995  1.0
  O  O9  1  0.788  0.783  0.509  1.0
  O  O10  1  0.226  0.221  0.509  1.0
  O  O11  1  0.774  0.283  0.995  1.0
  O  O12  1  0.218  0.159  0.126  1.0
  O  O13  1  0.782  0.907  0.941  1.0
  O  O14  1  0.533  0.659  0.941  1.0
  O  O15  1  0.467  0.407  0.126  1.0
  O  O16  1  0.038  0.563  0.100  1.0
  O  O17  1  0.962  0.063  0.525  1.0
[/CIF]
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The compound described by La2Sc2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ScO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 28°. In the second Sc site, Sc(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form ScO4 trigonal pyramids that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent La(1), one Sc(1), and one Sc(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sc(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Sc2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   9.047
_cell_length_c   9.047
_cell_angle_alpha   142.936
_cell_angle_beta   142.585
_cell_angle_gamma   53.685
_symmetry_Int_Tables_number   1
_cell_volume   269.364
_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  0.126  0.624  0.498  1.0
  La  La1  1  0.874  0.372  0.498  1.0
  La  La2  1  0.626  0.124  0.498  1.0
  La  La3  1  0.374  0.872  0.498  1.0
  Sc  Sc4  1  0.000  0.006  0.006  1.0
  Sc  Sc5  1  0.500  0.506  0.006  1.0
  Sc  Sc6  1  0.263  0.269  0.032  1.0
  Sc  Sc7  1  0.737  0.769  0.007  1.0
  O  O8  1  0.212  0.721  0.995  1.0
  O  O9  1  0.788  0.783  0.509  1.0
  O  O10  1  0.226  0.221  0.509  1.0
  O  O11  1  0.774  0.283  0.995  1.0
  O  O12  1  0.218  0.159  0.126  1.0
  O  O13  1  0.782  0.907  0.941  1.0
  O  O14  1  0.533  0.659  0.941  1.0
  O  O15  1  0.467  0.407  0.126  1.0
  O  O16  1  0.038  0.563  0.100  1.0
  O  O17  1  0.962  0.063  0.525  1.0
[/CIF]
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