The crystal structure described by Sr3La(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), and four equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one La(1), one Ni(1), and one Ni(2) atom to form distorted OSr3LaNi2 octahedra that share corners with two equivalent O(1)Sr3LaNi2 octahedra, corners with three equivalent O(4)Sr3La2Ni octahedra, corners with three equivalent O(5)Sr3La2Ni octahedra, corners with three equivalent O(3)Sr4LaNi octahedra, corners with three equivalent O(2)Sr5Ni octahedra, edges with two equivalent O(1)Sr3LaNi2 octahedra,  a faceface with one O(4)Sr3La2Ni octahedra,  a faceface with one O(5)Sr3La2Ni octahedra,  a faceface with one O(3)Sr4LaNi octahedra,  a faceface with one O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 4-56°. In the second O site, O(2) is bonded to one Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Ni(2) atom to form distorted OSr5Ni octahedra that share  a cornercorner with one O(5)Sr3La2Ni octahedra, corners with four equivalent O(2)Sr5Ni octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(4)Sr3La2Ni octahedra, edges with two equivalent O(5)Sr3La2Ni octahedra, edges with four equivalent O(3)Sr4LaNi octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(3), one La(1), and one Ni(1) atom to form distorted OSr4LaNi octahedra that share  a cornercorner with one O(4)Sr3La2Ni octahedra, corners with four equivalent O(3)Sr4LaNi octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(4)Sr3La2Ni octahedra, edges with two equivalent O(5)Sr3La2Ni octahedra, edges with four equivalent O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourth O site, O(4) is bonded to one Sr(3), two equivalent Sr(1), two equivalent La(1), and one Ni(1) atom to form distorted OSr3La2Ni octahedra that share  a cornercorner with one O(3)Sr4LaNi octahedra, corners with four equivalent O(4)Sr3La2Ni octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(3)Sr4LaNi octahedra, edges with two equivalent O(2)Sr5Ni octahedra, edges with four equivalent O(5)Sr3La2Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fifth O site, O(5) is bonded to one Sr(2), two equivalent Sr(1), two equivalent La(1), and one Ni(2) atom to form distorted OSr3La2Ni octahedra that share  a cornercorner with one O(2)Sr5Ni octahedra, corners with four equivalent O(5)Sr3La2Ni octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(3)Sr4LaNi octahedra, edges with two equivalent O(2)Sr5Ni octahedra, edges with four equivalent O(4)Sr3La2Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Sr3La(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.774
_cell_length_b   6.774
_cell_length_c   5.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.292
_symmetry_Int_Tables_number   1
_cell_volume   186.016
_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  0.641  0.359  0.000  1.0
  Sr  Sr1  1  0.361  0.639  0.000  1.0
  Sr  Sr2  1  0.858  0.142  0.500  1.0
  La  La3  1  0.139  0.861  0.500  1.0
  Ni  Ni4  1  0.497  0.503  0.500  1.0
  Ni  Ni5  1  0.998  0.002  0.000  1.0
  O  O6  1  0.248  0.242  0.255  1.0
  O  O7  1  0.758  0.752  0.745  1.0
  O  O8  1  0.248  0.242  0.745  1.0
  O  O9  1  0.758  0.752  0.255  1.0
  O  O10  1  0.841  0.159  0.000  1.0
  O  O11  1  0.333  0.667  0.500  1.0
  O  O12  1  0.658  0.342  0.500  1.0
  O  O13  1  0.160  0.840  0.000  1.0
[/CIF]
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The crystal structure described by Sr3La(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), and four equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one La(1), one Ni(1), and one Ni(2) atom to form distorted OSr3LaNi2 octahedra that share corners with two equivalent O(1)Sr3LaNi2 octahedra, corners with three equivalent O(4)Sr3La2Ni octahedra, corners with three equivalent O(5)Sr3La2Ni octahedra, corners with three equivalent O(3)Sr4LaNi octahedra, corners with three equivalent O(2)Sr5Ni octahedra, edges with two equivalent O(1)Sr3LaNi2 octahedra,  a faceface with one O(4)Sr3La2Ni octahedra,  a faceface with one O(5)Sr3La2Ni octahedra,  a faceface with one O(3)Sr4LaNi octahedra,  a faceface with one O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 4-56°. In the second O site, O(2) is bonded to one Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Ni(2) atom to form distorted OSr5Ni octahedra that share  a cornercorner with one O(5)Sr3La2Ni octahedra, corners with four equivalent O(2)Sr5Ni octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(4)Sr3La2Ni octahedra, edges with two equivalent O(5)Sr3La2Ni octahedra, edges with four equivalent O(3)Sr4LaNi octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(3), one La(1), and one Ni(1) atom to form distorted OSr4LaNi octahedra that share  a cornercorner with one O(4)Sr3La2Ni octahedra, corners with four equivalent O(3)Sr4LaNi octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(4)Sr3La2Ni octahedra, edges with two equivalent O(5)Sr3La2Ni octahedra, edges with four equivalent O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourth O site, O(4) is bonded to one Sr(3), two equivalent Sr(1), two equivalent La(1), and one Ni(1) atom to form distorted OSr3La2Ni octahedra that share  a cornercorner with one O(3)Sr4LaNi octahedra, corners with four equivalent O(4)Sr3La2Ni octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(3)Sr4LaNi octahedra, edges with two equivalent O(2)Sr5Ni octahedra, edges with four equivalent O(5)Sr3La2Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fifth O site, O(5) is bonded to one Sr(2), two equivalent Sr(1), two equivalent La(1), and one Ni(2) atom to form distorted OSr3La2Ni octahedra that share  a cornercorner with one O(2)Sr5Ni octahedra, corners with four equivalent O(5)Sr3La2Ni octahedra, corners with twelve equivalent O(1)Sr3LaNi2 octahedra, edges with two equivalent O(3)Sr4LaNi octahedra, edges with two equivalent O(2)Sr5Ni octahedra, edges with four equivalent O(4)Sr3La2Ni octahedra, and faces with four equivalent O(1)Sr3LaNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Sr3La(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.774
_cell_length_b   6.774
_cell_length_c   5.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.292
_symmetry_Int_Tables_number   1
_cell_volume   186.016
_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  0.641  0.359  0.000  1.0
  Sr  Sr1  1  0.361  0.639  0.000  1.0
  Sr  Sr2  1  0.858  0.142  0.500  1.0
  La  La3  1  0.139  0.861  0.500  1.0
  Ni  Ni4  1  0.497  0.503  0.500  1.0
  Ni  Ni5  1  0.998  0.002  0.000  1.0
  O  O6  1  0.248  0.242  0.255  1.0
  O  O7  1  0.758  0.752  0.745  1.0
  O  O8  1  0.248  0.242  0.745  1.0
  O  O9  1  0.758  0.752  0.255  1.0
  O  O10  1  0.841  0.159  0.000  1.0
  O  O11  1  0.333  0.667  0.500  1.0
  O  O12  1  0.658  0.342  0.500  1.0
  O  O13  1  0.160  0.840  0.000  1.0
[/CIF]
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