The crystal structure described by SrNd3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), two equivalent Nd(3), and one Ni(2) atom to form distorted ONd5Ni octahedra that share  a cornercorner with one O(4)Sr2Nd3Ni octahedra, corners with four equivalent O(1)Nd5Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(3)Sr2Nd3Ni octahedra, edges with two equivalent O(4)Sr2Nd3Ni octahedra, edges with four equivalent O(2)SrNd4Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second O site, O(2) is bonded to one Sr(1), two equivalent Nd(2), two equivalent Nd(3), and one Ni(1) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(3)Sr2Nd3Ni octahedra, corners with four equivalent O(2)SrNd4Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(3)Sr2Nd3Ni octahedra, edges with two equivalent O(4)Sr2Nd3Ni octahedra, edges with four equivalent O(1)Nd5Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Nd(3), two equivalent Nd(1), and one Ni(1) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(2)SrNd4Ni octahedra, corners with four equivalent O(3)Sr2Nd3Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(1)Nd5Ni octahedra, edges with two equivalent O(2)SrNd4Ni octahedra, edges with four equivalent O(4)Sr2Nd3Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Nd(2), two equivalent Nd(1), and one Ni(2) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(1)Nd5Ni octahedra, corners with four equivalent O(4)Sr2Nd3Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(1)Nd5Ni octahedra, edges with two equivalent O(2)SrNd4Ni octahedra, edges with four equivalent O(3)Sr2Nd3Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(5) is bonded to one Sr(1), one Nd(1), one Nd(2), one Nd(3), one Ni(1), and one Ni(2) atom to form distorted OSrNd3Ni2 octahedra that share corners with two equivalent O(5)SrNd3Ni2 octahedra, corners with three equivalent O(1)Nd5Ni octahedra, corners with three equivalent O(3)Sr2Nd3Ni octahedra, corners with three equivalent O(4)Sr2Nd3Ni octahedra, corners with three equivalent O(2)SrNd4Ni octahedra, edges with two equivalent O(5)SrNd3Ni2 octahedra,  a faceface with one O(1)Nd5Ni octahedra,  a faceface with one O(3)Sr2Nd3Ni octahedra,  a faceface with one O(4)Sr2Nd3Ni octahedra,  a faceface with one O(2)SrNd4Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 5-54°. is represented by the CIF card [CIF]
data_SrNd3(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.824
_cell_length_b   6.824
_cell_length_c   5.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.700
_symmetry_Int_Tables_number   1
_cell_volume   181.669
_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  0.857  0.143  0.500  1.0
  Nd  Nd1  1  0.363  0.637  0.000  1.0
  Nd  Nd2  1  0.639  0.361  0.000  1.0
  Nd  Nd3  1  0.137  0.863  0.500  1.0
  Ni  Ni4  1  0.497  0.503  0.500  1.0
  Ni  Ni5  1  0.997  0.003  0.000  1.0
  O  O6  1  0.179  0.821  0.000  1.0
  O  O7  1  0.664  0.336  0.500  1.0
  O  O8  1  0.324  0.676  0.500  1.0
  O  O9  1  0.824  0.176  0.000  1.0
  O  O10  1  0.254  0.245  0.760  1.0
  O  O11  1  0.755  0.746  0.240  1.0
  O  O12  1  0.254  0.245  0.240  1.0
  O  O13  1  0.755  0.746  0.760  1.0
[/CIF]
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The crystal structure described by SrNd3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), two equivalent Nd(3), and one Ni(2) atom to form distorted ONd5Ni octahedra that share  a cornercorner with one O(4)Sr2Nd3Ni octahedra, corners with four equivalent O(1)Nd5Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(3)Sr2Nd3Ni octahedra, edges with two equivalent O(4)Sr2Nd3Ni octahedra, edges with four equivalent O(2)SrNd4Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second O site, O(2) is bonded to one Sr(1), two equivalent Nd(2), two equivalent Nd(3), and one Ni(1) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(3)Sr2Nd3Ni octahedra, corners with four equivalent O(2)SrNd4Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(3)Sr2Nd3Ni octahedra, edges with two equivalent O(4)Sr2Nd3Ni octahedra, edges with four equivalent O(1)Nd5Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Nd(3), two equivalent Nd(1), and one Ni(1) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(2)SrNd4Ni octahedra, corners with four equivalent O(3)Sr2Nd3Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(1)Nd5Ni octahedra, edges with two equivalent O(2)SrNd4Ni octahedra, edges with four equivalent O(4)Sr2Nd3Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Nd(2), two equivalent Nd(1), and one Ni(2) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(1)Nd5Ni octahedra, corners with four equivalent O(4)Sr2Nd3Ni octahedra, corners with twelve equivalent O(5)SrNd3Ni2 octahedra, edges with two equivalent O(1)Nd5Ni octahedra, edges with two equivalent O(2)SrNd4Ni octahedra, edges with four equivalent O(3)Sr2Nd3Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(5) is bonded to one Sr(1), one Nd(1), one Nd(2), one Nd(3), one Ni(1), and one Ni(2) atom to form distorted OSrNd3Ni2 octahedra that share corners with two equivalent O(5)SrNd3Ni2 octahedra, corners with three equivalent O(1)Nd5Ni octahedra, corners with three equivalent O(3)Sr2Nd3Ni octahedra, corners with three equivalent O(4)Sr2Nd3Ni octahedra, corners with three equivalent O(2)SrNd4Ni octahedra, edges with two equivalent O(5)SrNd3Ni2 octahedra,  a faceface with one O(1)Nd5Ni octahedra,  a faceface with one O(3)Sr2Nd3Ni octahedra,  a faceface with one O(4)Sr2Nd3Ni octahedra,  a faceface with one O(2)SrNd4Ni octahedra, and faces with four equivalent O(5)SrNd3Ni2 octahedra. The corner-sharing octahedral tilt angles range from 5-54°. is represented by the CIF card [CIF]
data_SrNd3(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.824
_cell_length_b   6.824
_cell_length_c   5.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.700
_symmetry_Int_Tables_number   1
_cell_volume   181.669
_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  0.857  0.143  0.500  1.0
  Nd  Nd1  1  0.363  0.637  0.000  1.0
  Nd  Nd2  1  0.639  0.361  0.000  1.0
  Nd  Nd3  1  0.137  0.863  0.500  1.0
  Ni  Ni4  1  0.497  0.503  0.500  1.0
  Ni  Ni5  1  0.997  0.003  0.000  1.0
  O  O6  1  0.179  0.821  0.000  1.0
  O  O7  1  0.664  0.336  0.500  1.0
  O  O8  1  0.324  0.676  0.500  1.0
  O  O9  1  0.824  0.176  0.000  1.0
  O  O10  1  0.254  0.245  0.760  1.0
  O  O11  1  0.755  0.746  0.240  1.0
  O  O12  1  0.254  0.245  0.240  1.0
  O  O13  1  0.755  0.746  0.760  1.0
[/CIF]
.