The compound described by SrNdVO4 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. V(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing VO6 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 V(1) atoms to form distorted OSr2Nd2V2 octahedra that share corners with two equivalent O(1)Sr2Nd2V2 octahedra, corners with six equivalent O(3)Sr4NdV octahedra, corners with six equivalent O(2)SrNd4V octahedra, edges with two equivalent O(1)Sr2Nd2V2 octahedra, faces with two equivalent O(3)Sr4NdV octahedra, faces with two equivalent O(2)SrNd4V octahedra, and faces with four equivalent O(1)Sr2Nd2V2 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 V(1) atom to form distorted OSrNd4V octahedra that share  a cornercorner with one O(3)Sr4NdV octahedra, corners with four equivalent O(2)SrNd4V octahedra, corners with twelve equivalent O(1)Sr2Nd2V2 octahedra, edges with four equivalent O(3)Sr4NdV octahedra, edges with four equivalent O(2)SrNd4V octahedra, and faces with four equivalent O(1)Sr2Nd2V2 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 V(1) atom to form distorted OSr4NdV octahedra that share  a cornercorner with one O(2)SrNd4V octahedra, corners with four equivalent O(3)Sr4NdV octahedra, corners with twelve equivalent O(1)Sr2Nd2V2 octahedra, edges with four equivalent O(3)Sr4NdV octahedra, edges with four equivalent O(2)SrNd4V octahedra, and faces with four equivalent O(1)Sr2Nd2V2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_SrNdVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.893
_cell_length_b   6.893
_cell_length_c   6.893
_cell_angle_alpha   147.042
_cell_angle_beta   147.042
_cell_angle_gamma   47.301
_symmetry_Int_Tables_number   1
_cell_volume   96.549
_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  0.646  0.646  0.000  1.0
  Nd  Nd1  1  0.358  0.358  0.000  1.0
  V  V2  1  0.003  0.003  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  0.834  0.834  0.000  1.0
  O  O6  1  0.176  0.176  0.000  1.0
[/CIF]
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The compound described by SrNdVO4 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. V(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing VO6 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 V(1) atoms to form distorted OSr2Nd2V2 octahedra that share corners with two equivalent O(1)Sr2Nd2V2 octahedra, corners with six equivalent O(3)Sr4NdV octahedra, corners with six equivalent O(2)SrNd4V octahedra, edges with two equivalent O(1)Sr2Nd2V2 octahedra, faces with two equivalent O(3)Sr4NdV octahedra, faces with two equivalent O(2)SrNd4V octahedra, and faces with four equivalent O(1)Sr2Nd2V2 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 V(1) atom to form distorted OSrNd4V octahedra that share  a cornercorner with one O(3)Sr4NdV octahedra, corners with four equivalent O(2)SrNd4V octahedra, corners with twelve equivalent O(1)Sr2Nd2V2 octahedra, edges with four equivalent O(3)Sr4NdV octahedra, edges with four equivalent O(2)SrNd4V octahedra, and faces with four equivalent O(1)Sr2Nd2V2 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 V(1) atom to form distorted OSr4NdV octahedra that share  a cornercorner with one O(2)SrNd4V octahedra, corners with four equivalent O(3)Sr4NdV octahedra, corners with twelve equivalent O(1)Sr2Nd2V2 octahedra, edges with four equivalent O(3)Sr4NdV octahedra, edges with four equivalent O(2)SrNd4V octahedra, and faces with four equivalent O(1)Sr2Nd2V2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_SrNdVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.893
_cell_length_b   6.893
_cell_length_c   6.893
_cell_angle_alpha   147.042
_cell_angle_beta   147.042
_cell_angle_gamma   47.301
_symmetry_Int_Tables_number   1
_cell_volume   96.549
_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  0.646  0.646  0.000  1.0
  Nd  Nd1  1  0.358  0.358  0.000  1.0
  V  V2  1  0.003  0.003  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  0.834  0.834  0.000  1.0
  O  O6  1  0.176  0.176  0.000  1.0
[/CIF]
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