The compound described by SrNdGaO4 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(2), four equivalent O(1), and four equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Ga(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Ga(1) atoms to form distorted OSr2Nd2Ga2 octahedra that share corners with two equivalent O(1)Sr2Nd2Ga2 octahedra, corners with six equivalent O(3)Sr4NdGa octahedra, corners with six equivalent O(2)SrNd4Ga octahedra, edges with two equivalent O(1)Sr2Nd2Ga2 octahedra, faces with two equivalent O(3)Sr4NdGa octahedra, faces with two equivalent O(2)SrNd4Ga octahedra, and faces with four equivalent O(1)Sr2Nd2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Nd(1), and one Ga(1) atom to form distorted OSrNd4Ga octahedra that share  a cornercorner with one O(3)Sr4NdGa octahedra, corners with four equivalent O(2)SrNd4Ga octahedra, corners with twelve equivalent O(1)Sr2Nd2Ga2 octahedra, edges with four equivalent O(3)Sr4NdGa octahedra, edges with four equivalent O(2)SrNd4Ga octahedra, and faces with four equivalent O(1)Sr2Nd2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Nd(1), and one Ga(1) atom to form distorted OSr4NdGa octahedra that share  a cornercorner with one O(2)SrNd4Ga octahedra, corners with four equivalent O(3)Sr4NdGa octahedra, corners with twelve equivalent O(1)Sr2Nd2Ga2 octahedra, edges with four equivalent O(3)Sr4NdGa octahedra, edges with four equivalent O(2)SrNd4Ga octahedra, and faces with four equivalent O(1)Sr2Nd2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_SrNdGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   6.833
_cell_angle_alpha   147.121
_cell_angle_beta   147.121
_cell_angle_gamma   47.185
_symmetry_Int_Tables_number   1
_cell_volume   93.674
_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
  Ga  Ga2  1  0.005  0.005  0.000  1.0
  O  O3  1  0.992  0.492  0.500  1.0
  O  O4  1  0.492  0.992  0.500  1.0
  O  O5  1  0.835  0.835  0.000  1.0
  O  O6  1  0.171  0.171  0.000  1.0
[/CIF]
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The compound described by SrNdGaO4 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(2), four equivalent O(1), and four equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Ga(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Ga(1) atoms to form distorted OSr2Nd2Ga2 octahedra that share corners with two equivalent O(1)Sr2Nd2Ga2 octahedra, corners with six equivalent O(3)Sr4NdGa octahedra, corners with six equivalent O(2)SrNd4Ga octahedra, edges with two equivalent O(1)Sr2Nd2Ga2 octahedra, faces with two equivalent O(3)Sr4NdGa octahedra, faces with two equivalent O(2)SrNd4Ga octahedra, and faces with four equivalent O(1)Sr2Nd2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Nd(1), and one Ga(1) atom to form distorted OSrNd4Ga octahedra that share  a cornercorner with one O(3)Sr4NdGa octahedra, corners with four equivalent O(2)SrNd4Ga octahedra, corners with twelve equivalent O(1)Sr2Nd2Ga2 octahedra, edges with four equivalent O(3)Sr4NdGa octahedra, edges with four equivalent O(2)SrNd4Ga octahedra, and faces with four equivalent O(1)Sr2Nd2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Nd(1), and one Ga(1) atom to form distorted OSr4NdGa octahedra that share  a cornercorner with one O(2)SrNd4Ga octahedra, corners with four equivalent O(3)Sr4NdGa octahedra, corners with twelve equivalent O(1)Sr2Nd2Ga2 octahedra, edges with four equivalent O(3)Sr4NdGa octahedra, edges with four equivalent O(2)SrNd4Ga octahedra, and faces with four equivalent O(1)Sr2Nd2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_SrNdGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   6.833
_cell_angle_alpha   147.121
_cell_angle_beta   147.121
_cell_angle_gamma   47.185
_symmetry_Int_Tables_number   1
_cell_volume   93.674
_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
  Ga  Ga2  1  0.005  0.005  0.000  1.0
  O  O3  1  0.992  0.492  0.500  1.0
  O  O4  1  0.492  0.992  0.500  1.0
  O  O5  1  0.835  0.835  0.000  1.0
  O  O6  1  0.171  0.171  0.000  1.0
[/CIF]
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