The material structure described by SrLaScO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Sc(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent La(1), and one Sc(1) atom to form distorted OSrLa4Sc octahedra that share  a cornercorner with one O(2)Sr4LaSc octahedra, corners with four equivalent O(1)SrLa4Sc octahedra, corners with twelve equivalent O(3)Sr2La2Sc2 octahedra, edges with four equivalent O(2)Sr4LaSc octahedra, edges with four equivalent O(1)SrLa4Sc octahedra, and faces with four equivalent O(3)Sr2La2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to four equivalent Sr(1), one La(1), and one Sc(1) atom to form distorted OSr4LaSc octahedra that share  a cornercorner with one O(1)SrLa4Sc octahedra, corners with four equivalent O(2)Sr4LaSc octahedra, corners with twelve equivalent O(3)Sr2La2Sc2 octahedra, edges with four equivalent O(2)Sr4LaSc octahedra, edges with four equivalent O(1)SrLa4Sc octahedra, and faces with four equivalent O(3)Sr2La2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Sc(1) atoms to form distorted OSr2La2Sc2 octahedra that share corners with two equivalent O(3)Sr2La2Sc2 octahedra, corners with six equivalent O(2)Sr4LaSc octahedra, corners with six equivalent O(1)SrLa4Sc octahedra, edges with two equivalent O(3)Sr2La2Sc2 octahedra, faces with two equivalent O(2)Sr4LaSc octahedra, faces with two equivalent O(1)SrLa4Sc octahedra, and faces with four equivalent O(3)Sr2La2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. is represented by the CIF card [CIF]
data_SrLaScO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.929
_cell_length_b   6.929
_cell_length_c   6.929
_cell_angle_alpha   145.831
_cell_angle_beta   145.831
_cell_angle_gamma   49.098
_symmetry_Int_Tables_number   1
_cell_volume   104.459
_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  0.643  0.643  0.000  1.0
  La  La1  1  0.359  0.359  0.000  1.0
  Sc  Sc2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.831  0.831  0.000  1.0
  O  O4  1  0.177  0.177  0.000  1.0
  O  O5  1  0.494  0.994  0.500  1.0
  O  O6  1  0.994  0.494  0.500  1.0
[/CIF]
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The material structure described by SrLaScO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Sc(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent La(1), and one Sc(1) atom to form distorted OSrLa4Sc octahedra that share  a cornercorner with one O(2)Sr4LaSc octahedra, corners with four equivalent O(1)SrLa4Sc octahedra, corners with twelve equivalent O(3)Sr2La2Sc2 octahedra, edges with four equivalent O(2)Sr4LaSc octahedra, edges with four equivalent O(1)SrLa4Sc octahedra, and faces with four equivalent O(3)Sr2La2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to four equivalent Sr(1), one La(1), and one Sc(1) atom to form distorted OSr4LaSc octahedra that share  a cornercorner with one O(1)SrLa4Sc octahedra, corners with four equivalent O(2)Sr4LaSc octahedra, corners with twelve equivalent O(3)Sr2La2Sc2 octahedra, edges with four equivalent O(2)Sr4LaSc octahedra, edges with four equivalent O(1)SrLa4Sc octahedra, and faces with four equivalent O(3)Sr2La2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Sc(1) atoms to form distorted OSr2La2Sc2 octahedra that share corners with two equivalent O(3)Sr2La2Sc2 octahedra, corners with six equivalent O(2)Sr4LaSc octahedra, corners with six equivalent O(1)SrLa4Sc octahedra, edges with two equivalent O(3)Sr2La2Sc2 octahedra, faces with two equivalent O(2)Sr4LaSc octahedra, faces with two equivalent O(1)SrLa4Sc octahedra, and faces with four equivalent O(3)Sr2La2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. is represented by the CIF card [CIF]
data_SrLaScO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.929
_cell_length_b   6.929
_cell_length_c   6.929
_cell_angle_alpha   145.831
_cell_angle_beta   145.831
_cell_angle_gamma   49.098
_symmetry_Int_Tables_number   1
_cell_volume   104.459
_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  0.643  0.643  0.000  1.0
  La  La1  1  0.359  0.359  0.000  1.0
  Sc  Sc2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.831  0.831  0.000  1.0
  O  O4  1  0.177  0.177  0.000  1.0
  O  O5  1  0.494  0.994  0.500  1.0
  O  O6  1  0.994  0.494  0.500  1.0
[/CIF]
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