The material structure described by MgNiBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-32°. Ni(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-51°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid,  an edgeedge with one Bi(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with two equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ni(1), and one Bi(1) atom to form OMgNi2Bi trigonal pyramids that share corners with two equivalent O(4)Mg2Bi2 trigonal pyramids,  an edgeedge with one O(4)Mg2Bi2 trigonal pyramid, and  an edgeedge with one O(1)MgNi2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 trigonal pyramids that share corners with two equivalent O(1)MgNi2Bi trigonal pyramids,  an edgeedge with one O(1)MgNi2Bi trigonal pyramid, and edges with two equivalent O(4)Mg2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNiBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.462
_cell_length_b   5.362
_cell_length_c   8.305
_cell_angle_alpha   70.345
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.715
_cell_formula_units_Z   4
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  0.091  0.532  0.832  1.0
  Mg  Mg1  1  0.909  0.468  0.168  1.0
  Mg  Mg2  1  0.591  0.468  0.668  1.0
  Mg  Mg3  1  0.409  0.532  0.332  1.0
  Ni  Ni4  1  0.384  0.120  0.061  1.0
  Ni  Ni5  1  0.616  0.880  0.939  1.0
  Ni  Ni6  1  0.884  0.880  0.439  1.0
  Ni  Ni7  1  0.116  0.120  0.561  1.0
  Bi  Bi8  1  0.895  0.027  0.842  1.0
  Bi  Bi9  1  0.105  0.973  0.158  1.0
  Bi  Bi10  1  0.605  0.027  0.342  1.0
  Bi  Bi11  1  0.395  0.973  0.658  1.0
  O  O12  1  0.956  0.845  0.657  1.0
  O  O13  1  0.033  0.302  0.685  1.0
  O  O14  1  0.791  0.186  0.308  1.0
  O  O15  1  0.458  0.752  0.494  1.0
  O  O16  1  0.720  0.715  0.505  1.0
  O  O17  1  0.780  0.715  0.005  1.0
  O  O18  1  0.467  0.302  0.185  1.0
  O  O19  1  0.533  0.698  0.815  1.0
  O  O20  1  0.542  0.248  0.506  1.0
  O  O21  1  0.456  0.155  0.843  1.0
  O  O22  1  0.280  0.285  0.495  1.0
  O  O23  1  0.044  0.155  0.343  1.0
  O  O24  1  0.544  0.845  0.157  1.0
  O  O25  1  0.220  0.285  0.995  1.0
  O  O26  1  0.958  0.248  0.006  1.0
  O  O27  1  0.042  0.752  0.994  1.0
  O  O28  1  0.209  0.814  0.692  1.0
  O  O29  1  0.967  0.698  0.315  1.0
  O  O30  1  0.291  0.814  0.192  1.0
  O  O31  1  0.709  0.186  0.808  1.0
[/CIF]
.
The material structure described by MgNiBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-32°. Ni(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-51°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid,  an edgeedge with one Bi(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with two equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ni(1), and one Bi(1) atom to form OMgNi2Bi trigonal pyramids that share corners with two equivalent O(4)Mg2Bi2 trigonal pyramids,  an edgeedge with one O(4)Mg2Bi2 trigonal pyramid, and  an edgeedge with one O(1)MgNi2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 trigonal pyramids that share corners with two equivalent O(1)MgNi2Bi trigonal pyramids,  an edgeedge with one O(1)MgNi2Bi trigonal pyramid, and edges with two equivalent O(4)Mg2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNiBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.462
_cell_length_b   5.362
_cell_length_c   8.305
_cell_angle_alpha   70.345
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.715
_cell_formula_units_Z   4
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  0.091  0.532  0.832  1.0
  Mg  Mg1  1  0.909  0.468  0.168  1.0
  Mg  Mg2  1  0.591  0.468  0.668  1.0
  Mg  Mg3  1  0.409  0.532  0.332  1.0
  Ni  Ni4  1  0.384  0.120  0.061  1.0
  Ni  Ni5  1  0.616  0.880  0.939  1.0
  Ni  Ni6  1  0.884  0.880  0.439  1.0
  Ni  Ni7  1  0.116  0.120  0.561  1.0
  Bi  Bi8  1  0.895  0.027  0.842  1.0
  Bi  Bi9  1  0.105  0.973  0.158  1.0
  Bi  Bi10  1  0.605  0.027  0.342  1.0
  Bi  Bi11  1  0.395  0.973  0.658  1.0
  O  O12  1  0.956  0.845  0.657  1.0
  O  O13  1  0.033  0.302  0.685  1.0
  O  O14  1  0.791  0.186  0.308  1.0
  O  O15  1  0.458  0.752  0.494  1.0
  O  O16  1  0.720  0.715  0.505  1.0
  O  O17  1  0.780  0.715  0.005  1.0
  O  O18  1  0.467  0.302  0.185  1.0
  O  O19  1  0.533  0.698  0.815  1.0
  O  O20  1  0.542  0.248  0.506  1.0
  O  O21  1  0.456  0.155  0.843  1.0
  O  O22  1  0.280  0.285  0.495  1.0
  O  O23  1  0.044  0.155  0.343  1.0
  O  O24  1  0.544  0.845  0.157  1.0
  O  O25  1  0.220  0.285  0.995  1.0
  O  O26  1  0.958  0.248  0.006  1.0
  O  O27  1  0.042  0.752  0.994  1.0
  O  O28  1  0.209  0.814  0.692  1.0
  O  O29  1  0.967  0.698  0.315  1.0
  O  O30  1  0.291  0.814  0.192  1.0
  O  O31  1  0.709  0.186  0.808  1.0
[/CIF]
.