The structure described by SrNdCrO4 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. Cr(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing CrO6 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 two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cr(1) atoms to form distorted OSr2Nd2Cr2 octahedra that share corners with two equivalent O(1)Sr2Nd2Cr2 octahedra, corners with six equivalent O(3)Sr4NdCr octahedra, corners with six equivalent O(2)SrNd4Cr octahedra, edges with two equivalent O(1)Sr2Nd2Cr2 octahedra, faces with two equivalent O(3)Sr4NdCr octahedra, faces with two equivalent O(2)SrNd4Cr octahedra, and faces with four equivalent O(1)Sr2Nd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Nd(1), and one Cr(1) atom to form distorted OSrNd4Cr octahedra that share  a cornercorner with one O(3)Sr4NdCr octahedra, corners with four equivalent O(2)SrNd4Cr octahedra, corners with twelve equivalent O(1)Sr2Nd2Cr2 octahedra, edges with four equivalent O(3)Sr4NdCr octahedra, edges with four equivalent O(2)SrNd4Cr octahedra, and faces with four equivalent O(1)Sr2Nd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Nd(1), and one Cr(1) atom to form distorted OSr4NdCr octahedra that share  a cornercorner with one O(2)SrNd4Cr octahedra, corners with four equivalent O(3)Sr4NdCr octahedra, corners with twelve equivalent O(1)Sr2Nd2Cr2 octahedra, edges with four equivalent O(3)Sr4NdCr octahedra, edges with four equivalent O(2)SrNd4Cr octahedra, and faces with four equivalent O(1)Sr2Nd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_SrNdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.775
_cell_length_b   6.775
_cell_length_c   6.775
_cell_angle_alpha   146.497
_cell_angle_beta   146.497
_cell_angle_gamma   48.109
_symmetry_Int_Tables_number   1
_cell_volume   94.371
_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  0.361  0.361  0.000  1.0
  Cr  Cr2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.492  0.992  0.500  1.0
  O  O4  1  0.992  0.492  0.500  1.0
  O  O5  1  0.837  0.837  0.000  1.0
  O  O6  1  0.172  0.172  0.000  1.0
[/CIF]
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The structure described by SrNdCrO4 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. Cr(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing CrO6 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 two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cr(1) atoms to form distorted OSr2Nd2Cr2 octahedra that share corners with two equivalent O(1)Sr2Nd2Cr2 octahedra, corners with six equivalent O(3)Sr4NdCr octahedra, corners with six equivalent O(2)SrNd4Cr octahedra, edges with two equivalent O(1)Sr2Nd2Cr2 octahedra, faces with two equivalent O(3)Sr4NdCr octahedra, faces with two equivalent O(2)SrNd4Cr octahedra, and faces with four equivalent O(1)Sr2Nd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Nd(1), and one Cr(1) atom to form distorted OSrNd4Cr octahedra that share  a cornercorner with one O(3)Sr4NdCr octahedra, corners with four equivalent O(2)SrNd4Cr octahedra, corners with twelve equivalent O(1)Sr2Nd2Cr2 octahedra, edges with four equivalent O(3)Sr4NdCr octahedra, edges with four equivalent O(2)SrNd4Cr octahedra, and faces with four equivalent O(1)Sr2Nd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Nd(1), and one Cr(1) atom to form distorted OSr4NdCr octahedra that share  a cornercorner with one O(2)SrNd4Cr octahedra, corners with four equivalent O(3)Sr4NdCr octahedra, corners with twelve equivalent O(1)Sr2Nd2Cr2 octahedra, edges with four equivalent O(3)Sr4NdCr octahedra, edges with four equivalent O(2)SrNd4Cr octahedra, and faces with four equivalent O(1)Sr2Nd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_SrNdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.775
_cell_length_b   6.775
_cell_length_c   6.775
_cell_angle_alpha   146.497
_cell_angle_beta   146.497
_cell_angle_gamma   48.109
_symmetry_Int_Tables_number   1
_cell_volume   94.371
_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  0.361  0.361  0.000  1.0
  Cr  Cr2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.492  0.992  0.500  1.0
  O  O4  1  0.992  0.492  0.500  1.0
  O  O5  1  0.837  0.837  0.000  1.0
  O  O6  1  0.172  0.172  0.000  1.0
[/CIF]
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