The material structure described by Sr3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Sr(1), four equivalent Sr(2), and four equivalent Sc(1) atoms to form distorted SrSr8Sc4 cuboctahedra that share corners with twelve equivalent Sr(1)Sr8Sc4 cuboctahedra, edges with eight equivalent Sr(1)Sr8Sc4 cuboctahedra, edges with eight equivalent Sr(2)Sr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Sr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sr12 cuboctahedra, and faces with ten equivalent Sr(1)Sr8Sc4 cuboctahedra. In the second Sr site, Sr(2) is bonded to eight equivalent Sr(1) and four equivalent Sc(1) atoms to form distorted SrSr8Sc4 cuboctahedra that share corners with four equivalent Sr(2)Sr8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Sr8Sc4 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Sc4 cuboctahedra, faces with four equivalent Sr(2)Sr8Sc4 cuboctahedra, faces with six equivalent Sc(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form ScSr12 cuboctahedra that share corners with four equivalent Sc(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Sr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Sr8Sc4 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Sc4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.997
_cell_length_b   6.997
_cell_length_c   6.997
_cell_angle_alpha   133.156
_cell_angle_beta   133.156
_cell_angle_gamma   68.410
_symmetry_Int_Tables_number   1
_cell_volume   179.058
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Sr3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Sr(1), four equivalent Sr(2), and four equivalent Sc(1) atoms to form distorted SrSr8Sc4 cuboctahedra that share corners with twelve equivalent Sr(1)Sr8Sc4 cuboctahedra, edges with eight equivalent Sr(1)Sr8Sc4 cuboctahedra, edges with eight equivalent Sr(2)Sr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Sr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sr12 cuboctahedra, and faces with ten equivalent Sr(1)Sr8Sc4 cuboctahedra. In the second Sr site, Sr(2) is bonded to eight equivalent Sr(1) and four equivalent Sc(1) atoms to form distorted SrSr8Sc4 cuboctahedra that share corners with four equivalent Sr(2)Sr8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Sr8Sc4 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Sc4 cuboctahedra, faces with four equivalent Sr(2)Sr8Sc4 cuboctahedra, faces with six equivalent Sc(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form ScSr12 cuboctahedra that share corners with four equivalent Sc(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Sr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Sr8Sc4 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Sc4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.997
_cell_length_b   6.997
_cell_length_c   6.997
_cell_angle_alpha   133.156
_cell_angle_beta   133.156
_cell_angle_gamma   68.410
_symmetry_Int_Tables_number   1
_cell_volume   179.058
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
[/CIF]
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