The material described by MgNi2(BiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Ni site, Ni(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Bi(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-66°. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Bi(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-66°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_MgNi2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   6.335
_cell_length_c   6.334
_cell_angle_alpha   52.558
_cell_angle_beta   52.477
_cell_angle_gamma   52.471
_symmetry_Int_Tables_number   1
_cell_volume   148.175
_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
  Mg  Mg0  1  0.151  0.152  0.153  1.0
  Ni  Ni1  1  0.983  0.982  0.980  1.0
  Ni  Ni2  1  0.550  0.549  0.549  1.0
  Bi  Bi3  1  0.336  0.336  0.335  1.0
  Bi  Bi4  1  0.795  0.795  0.795  1.0
  O  O5  1  0.214  0.902  0.574  1.0
  O  O6  1  0.901  0.576  0.211  1.0
  O  O7  1  0.579  0.213  0.900  1.0
  O  O8  1  0.091  0.338  0.778  1.0
  O  O9  1  0.777  0.091  0.338  1.0
  O  O10  1  0.338  0.778  0.090  1.0
[/CIF]
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The material described by MgNi2(BiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Ni site, Ni(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Bi(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-66°. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Bi(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-66°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_MgNi2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   6.335
_cell_length_c   6.334
_cell_angle_alpha   52.558
_cell_angle_beta   52.477
_cell_angle_gamma   52.471
_symmetry_Int_Tables_number   1
_cell_volume   148.175
_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
  Mg  Mg0  1  0.151  0.152  0.153  1.0
  Ni  Ni1  1  0.983  0.982  0.980  1.0
  Ni  Ni2  1  0.550  0.549  0.549  1.0
  Bi  Bi3  1  0.336  0.336  0.335  1.0
  Bi  Bi4  1  0.795  0.795  0.795  1.0
  O  O5  1  0.214  0.902  0.574  1.0
  O  O6  1  0.901  0.576  0.211  1.0
  O  O7  1  0.579  0.213  0.900  1.0
  O  O8  1  0.091  0.338  0.778  1.0
  O  O9  1  0.777  0.091  0.338  1.0
  O  O10  1  0.338  0.778  0.090  1.0
[/CIF]
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