The material described by Sm2Sc2O5 is Ilmenite-like structured and crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 36°. 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 36°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sc(1) atoms to form distorted OSm2Sc2 tetrahedra that share corners with two equivalent O(3)Sm4Sc2 octahedra, corners with four equivalent O(1)Sm2Sc2 tetrahedra,  an edgeedge with one O(3)Sm4Sc2 octahedra, and edges with two equivalent O(1)Sm2Sc2 tetrahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sm(1), one Sc(1), and one Sc(2) atom. In the third O site, O(3) is bonded to four equivalent Sm(1) and two equivalent Sc(2) atoms to form OSm4Sc2 octahedra that share corners with four equivalent O(1)Sm2Sc2 tetrahedra, edges with two equivalent O(1)Sm2Sc2 tetrahedra, and faces with two equivalent O(3)Sm4Sc2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Sc2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   8.898
_cell_length_c   8.898
_cell_angle_alpha   142.864
_cell_angle_beta   142.792
_cell_angle_gamma   53.583
_symmetry_Int_Tables_number   1
_cell_volume   255.570
_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
  Sm  Sm0  1  0.679  0.115  0.523  1.0
  Sm  Sm1  1  0.408  0.885  0.564  1.0
  Sm  Sm2  1  0.179  0.656  0.564  1.0
  Sm  Sm3  1  0.908  0.344  0.523  1.0
  Sc  Sc4  1  0.019  0.000  0.019  1.0
  Sc  Sc5  1  0.519  0.500  0.019  1.0
  Sc  Sc6  1  0.264  0.290  0.054  1.0
  Sc  Sc7  1  0.764  0.710  0.975  1.0
  O  O8  1  0.731  0.220  0.033  1.0
  O  O9  1  0.812  0.780  0.510  1.0
  O  O10  1  0.231  0.198  0.510  1.0
  O  O11  1  0.312  0.802  0.033  1.0
  O  O12  1  0.096  0.250  0.093  1.0
  O  O13  1  0.843  0.750  0.847  1.0
  O  O14  1  0.596  0.504  0.847  1.0
  O  O15  1  0.343  0.496  0.093  1.0
  O  O16  1  0.531  0.019  0.050  1.0
  O  O17  1  0.031  0.981  0.511  1.0
[/CIF]
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The material described by Sm2Sc2O5 is Ilmenite-like structured and crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 36°. 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 36°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sc(1) atoms to form distorted OSm2Sc2 tetrahedra that share corners with two equivalent O(3)Sm4Sc2 octahedra, corners with four equivalent O(1)Sm2Sc2 tetrahedra,  an edgeedge with one O(3)Sm4Sc2 octahedra, and edges with two equivalent O(1)Sm2Sc2 tetrahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sm(1), one Sc(1), and one Sc(2) atom. In the third O site, O(3) is bonded to four equivalent Sm(1) and two equivalent Sc(2) atoms to form OSm4Sc2 octahedra that share corners with four equivalent O(1)Sm2Sc2 tetrahedra, edges with two equivalent O(1)Sm2Sc2 tetrahedra, and faces with two equivalent O(3)Sm4Sc2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Sc2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   8.898
_cell_length_c   8.898
_cell_angle_alpha   142.864
_cell_angle_beta   142.792
_cell_angle_gamma   53.583
_symmetry_Int_Tables_number   1
_cell_volume   255.570
_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
  Sm  Sm0  1  0.679  0.115  0.523  1.0
  Sm  Sm1  1  0.408  0.885  0.564  1.0
  Sm  Sm2  1  0.179  0.656  0.564  1.0
  Sm  Sm3  1  0.908  0.344  0.523  1.0
  Sc  Sc4  1  0.019  0.000  0.019  1.0
  Sc  Sc5  1  0.519  0.500  0.019  1.0
  Sc  Sc6  1  0.264  0.290  0.054  1.0
  Sc  Sc7  1  0.764  0.710  0.975  1.0
  O  O8  1  0.731  0.220  0.033  1.0
  O  O9  1  0.812  0.780  0.510  1.0
  O  O10  1  0.231  0.198  0.510  1.0
  O  O11  1  0.312  0.802  0.033  1.0
  O  O12  1  0.096  0.250  0.093  1.0
  O  O13  1  0.843  0.750  0.847  1.0
  O  O14  1  0.596  0.504  0.847  1.0
  O  O15  1  0.343  0.496  0.093  1.0
  O  O16  1  0.531  0.019  0.050  1.0
  O  O17  1  0.031  0.981  0.511  1.0
[/CIF]
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