The material described by Sr5Ni2BiO10 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form SrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sr(1)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Sr site, Sr(2) 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. Ni(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Sr(1)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra, and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Ni(1) atoms to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(1)Sr4Ni2 octahedra, corners with four equivalent O(4)Sr4Bi2 octahedra, corners with four equivalent O(3)Sr4NiBi octahedra, corners with four equivalent O(2)Sr5Ni octahedra, edges with two equivalent O(1)Sr4Ni2 octahedra, faces with two equivalent O(3)Sr4NiBi octahedra, faces with two equivalent O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ni(1) atom to form distorted OSr5Ni octahedra that share  a cornercorner with one O(3)Sr4NiBi octahedra, corners with five equivalent O(2)Sr5Ni octahedra, corners with eight equivalent O(1)Sr4Ni2 octahedra, edges with four equivalent O(4)Sr4Bi2 octahedra, edges with four equivalent O(3)Sr4NiBi octahedra, and faces with four equivalent O(1)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to four equivalent Sr(2), one Ni(1), and one Bi(1) atom to form distorted OSr4NiBi octahedra that share  a cornercorner with one O(2)Sr5Ni octahedra, corners with five equivalent O(3)Sr4NiBi octahedra, corners with eight equivalent O(1)Sr4Ni2 octahedra, edges with four equivalent O(4)Sr4Bi2 octahedra, edges with four equivalent O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Bi(1) atoms to form OSr4Bi2 octahedra that share corners with four equivalent O(4)Sr4Bi2 octahedra, corners with eight equivalent O(1)Sr4Ni2 octahedra, edges with four equivalent O(4)Sr4Bi2 octahedra, edges with four equivalent O(3)Sr4NiBi octahedra, and edges with four equivalent O(2)Sr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Ni2BiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.819
_cell_length_b   9.819
_cell_length_c   9.819
_cell_angle_alpha   148.415
_cell_angle_beta   148.415
_cell_angle_gamma   45.273
_symmetry_Int_Tables_number   1
_cell_volume   258.895
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.349  0.849  0.500  1.0
  Sr  Sr2  1  0.849  0.349  0.500  1.0
  Sr  Sr3  1  0.651  0.151  0.500  1.0
  Sr  Sr4  1  0.151  0.651  0.500  1.0
  Ni  Ni5  1  0.244  0.244  0.000  1.0
  Ni  Ni6  1  0.756  0.756  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.867  0.867  0.000  1.0
  O  O13  1  0.133  0.133  0.000  1.0
  O  O14  1  0.379  0.379  0.000  1.0
  O  O15  1  0.621  0.621  0.000  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Sr5Ni2BiO10 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form SrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sr(1)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Sr site, Sr(2) 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. Ni(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Sr(1)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra, and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Ni(1) atoms to form distorted OSr4Ni2 octahedra that share corners with two equivalent O(1)Sr4Ni2 octahedra, corners with four equivalent O(4)Sr4Bi2 octahedra, corners with four equivalent O(3)Sr4NiBi octahedra, corners with four equivalent O(2)Sr5Ni octahedra, edges with two equivalent O(1)Sr4Ni2 octahedra, faces with two equivalent O(3)Sr4NiBi octahedra, faces with two equivalent O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ni(1) atom to form distorted OSr5Ni octahedra that share  a cornercorner with one O(3)Sr4NiBi octahedra, corners with five equivalent O(2)Sr5Ni octahedra, corners with eight equivalent O(1)Sr4Ni2 octahedra, edges with four equivalent O(4)Sr4Bi2 octahedra, edges with four equivalent O(3)Sr4NiBi octahedra, and faces with four equivalent O(1)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to four equivalent Sr(2), one Ni(1), and one Bi(1) atom to form distorted OSr4NiBi octahedra that share  a cornercorner with one O(2)Sr5Ni octahedra, corners with five equivalent O(3)Sr4NiBi octahedra, corners with eight equivalent O(1)Sr4Ni2 octahedra, edges with four equivalent O(4)Sr4Bi2 octahedra, edges with four equivalent O(2)Sr5Ni octahedra, and faces with four equivalent O(1)Sr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Bi(1) atoms to form OSr4Bi2 octahedra that share corners with four equivalent O(4)Sr4Bi2 octahedra, corners with eight equivalent O(1)Sr4Ni2 octahedra, edges with four equivalent O(4)Sr4Bi2 octahedra, edges with four equivalent O(3)Sr4NiBi octahedra, and edges with four equivalent O(2)Sr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Ni2BiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.819
_cell_length_b   9.819
_cell_length_c   9.819
_cell_angle_alpha   148.415
_cell_angle_beta   148.415
_cell_angle_gamma   45.273
_symmetry_Int_Tables_number   1
_cell_volume   258.895
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.349  0.849  0.500  1.0
  Sr  Sr2  1  0.849  0.349  0.500  1.0
  Sr  Sr3  1  0.651  0.151  0.500  1.0
  Sr  Sr4  1  0.151  0.651  0.500  1.0
  Ni  Ni5  1  0.244  0.244  0.000  1.0
  Ni  Ni6  1  0.756  0.756  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.867  0.867  0.000  1.0
  O  O13  1  0.133  0.133  0.000  1.0
  O  O14  1  0.379  0.379  0.000  1.0
  O  O15  1  0.621  0.621  0.000  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
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