The material described by SrNdAlO4 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. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Al(1) atom to form distorted OSrNd4Al octahedra that share  a cornercorner with one O(2)Sr4NdAl octahedra, corners with four equivalent O(1)SrNd4Al octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Al(1) atom to form distorted OSr4NdAl octahedra that share  a cornercorner with one O(1)SrNd4Al octahedra, corners with four equivalent O(2)Sr4NdAl octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Al(1) atoms to form distorted OSr2Nd2Al2 octahedra that share corners with two equivalent O(3)Sr2Nd2Al2 octahedra, corners with six equivalent O(2)Sr4NdAl octahedra, corners with six equivalent O(1)SrNd4Al octahedra, edges with two equivalent O(3)Sr2Nd2Al2 octahedra, faces with two equivalent O(2)Sr4NdAl octahedra, faces with two equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°. is represented by the CIF file [CIF]
data_SrNdAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.773
_cell_length_b   6.773
_cell_length_c   6.773
_cell_angle_alpha   147.676
_cell_angle_beta   147.676
_cell_angle_gamma   46.363
_symmetry_Int_Tables_number   1
_cell_volume   88.525
_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  0.644  0.644  0.000  1.0
  Nd  Nd1  1  0.360  0.360  0.000  1.0
  Al  Al2  1  0.004  0.004  0.000  1.0
  O  O3  1  0.839  0.839  0.000  1.0
  O  O4  1  0.166  0.166  0.000  1.0
  O  O5  1  0.994  0.494  0.500  1.0
  O  O6  1  0.494  0.994  0.500  1.0
[/CIF]
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The material described by SrNdAlO4 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. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Al(1) atom to form distorted OSrNd4Al octahedra that share  a cornercorner with one O(2)Sr4NdAl octahedra, corners with four equivalent O(1)SrNd4Al octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Al(1) atom to form distorted OSr4NdAl octahedra that share  a cornercorner with one O(1)SrNd4Al octahedra, corners with four equivalent O(2)Sr4NdAl octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Al(1) atoms to form distorted OSr2Nd2Al2 octahedra that share corners with two equivalent O(3)Sr2Nd2Al2 octahedra, corners with six equivalent O(2)Sr4NdAl octahedra, corners with six equivalent O(1)SrNd4Al octahedra, edges with two equivalent O(3)Sr2Nd2Al2 octahedra, faces with two equivalent O(2)Sr4NdAl octahedra, faces with two equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°. is represented by the CIF file [CIF]
data_SrNdAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.773
_cell_length_b   6.773
_cell_length_c   6.773
_cell_angle_alpha   147.676
_cell_angle_beta   147.676
_cell_angle_gamma   46.363
_symmetry_Int_Tables_number   1
_cell_volume   88.525
_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  0.644  0.644  0.000  1.0
  Nd  Nd1  1  0.360  0.360  0.000  1.0
  Al  Al2  1  0.004  0.004  0.000  1.0
  O  O3  1  0.839  0.839  0.000  1.0
  O  O4  1  0.166  0.166  0.000  1.0
  O  O5  1  0.994  0.494  0.500  1.0
  O  O6  1  0.494  0.994  0.500  1.0
[/CIF]
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