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), and one O(5) atom to form distorted MgO5 square pyramids that share corners with three equivalent Ni(2)O4 tetrahedra, corners with two equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted NiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 square pyramids, corners with three equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 square pyramid. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form NiO4 tetrahedra that share corners with three equivalent Mg(1)O5 square pyramids and corners with three equivalent Ni(1)O5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Bi(2) atom to form distorted OMgNi2Bi trigonal pyramids that share  a cornercorner with one O(2)MgNiBi2 tetrahedra, corners with three equivalent O(5)MgNiBi2 trigonal pyramids,  an edgeedge with one O(2)MgNiBi2 tetrahedra, and edges with two equivalent O(4)MgNi2Bi trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom to form distorted OMgNiBi2 tetrahedra that share  a cornercorner with one O(1)MgNi2Bi trigonal pyramid, corners with three equivalent O(4)MgNi2Bi trigonal pyramids,  an edgeedge with one O(1)MgNi2Bi trigonal pyramid, and edges with two equivalent O(5)MgNiBi2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Bi(2) atom to form distorted OMgNi2Bi trigonal pyramids that share corners with three equivalent O(2)MgNiBi2 tetrahedra,  a cornercorner with one O(5)MgNiBi2 trigonal pyramid,  an edgeedge with one O(5)MgNiBi2 trigonal pyramid, and edges with two equivalent O(1)MgNi2Bi trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom to form distorted OMgNiBi2 trigonal pyramids that share  a cornercorner with one O(4)MgNi2Bi trigonal pyramid, corners with three equivalent O(1)MgNi2Bi trigonal pyramids, edges with two equivalent O(2)MgNiBi2 tetrahedra, and  an edgeedge with one O(4)MgNi2Bi trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_MgNi2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.433
_cell_length_b   5.578
_cell_length_c   5.768
_cell_angle_alpha   60.573
_cell_angle_beta   70.577
_cell_angle_gamma   61.745
_symmetry_Int_Tables_number   1
_cell_volume   157.450
_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  0.909  0.302  0.509  1.0
  Ni  Ni1  1  0.081  0.941  0.017  1.0
  Ni  Ni2  1  0.323  0.548  0.575  1.0
  Bi  Bi3  1  0.522  0.183  0.209  1.0
  Bi  Bi4  1  0.798  0.683  0.872  1.0
  O  O5  1  0.093  0.860  0.702  1.0
  O  O6  1  0.848  0.714  0.214  1.0
  O  O7  1  0.602  0.318  0.783  1.0
  O  O8  1  0.094  0.343  0.722  1.0
  O  O9  1  0.839  0.215  0.227  1.0
  O  O10  1  0.375  0.648  0.185  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), and one O(5) atom to form distorted MgO5 square pyramids that share corners with three equivalent Ni(2)O4 tetrahedra, corners with two equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted NiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 square pyramids, corners with three equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 square pyramid. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form NiO4 tetrahedra that share corners with three equivalent Mg(1)O5 square pyramids and corners with three equivalent Ni(1)O5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Bi(2) atom to form distorted OMgNi2Bi trigonal pyramids that share  a cornercorner with one O(2)MgNiBi2 tetrahedra, corners with three equivalent O(5)MgNiBi2 trigonal pyramids,  an edgeedge with one O(2)MgNiBi2 tetrahedra, and edges with two equivalent O(4)MgNi2Bi trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom to form distorted OMgNiBi2 tetrahedra that share  a cornercorner with one O(1)MgNi2Bi trigonal pyramid, corners with three equivalent O(4)MgNi2Bi trigonal pyramids,  an edgeedge with one O(1)MgNi2Bi trigonal pyramid, and edges with two equivalent O(5)MgNiBi2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Bi(2) atom to form distorted OMgNi2Bi trigonal pyramids that share corners with three equivalent O(2)MgNiBi2 tetrahedra,  a cornercorner with one O(5)MgNiBi2 trigonal pyramid,  an edgeedge with one O(5)MgNiBi2 trigonal pyramid, and edges with two equivalent O(1)MgNi2Bi trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ni(1), one Bi(1), and one Bi(2) atom to form distorted OMgNiBi2 trigonal pyramids that share  a cornercorner with one O(4)MgNi2Bi trigonal pyramid, corners with three equivalent O(1)MgNi2Bi trigonal pyramids, edges with two equivalent O(2)MgNiBi2 tetrahedra, and  an edgeedge with one O(4)MgNi2Bi trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_MgNi2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.433
_cell_length_b   5.578
_cell_length_c   5.768
_cell_angle_alpha   60.573
_cell_angle_beta   70.577
_cell_angle_gamma   61.745
_symmetry_Int_Tables_number   1
_cell_volume   157.450
_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  0.909  0.302  0.509  1.0
  Ni  Ni1  1  0.081  0.941  0.017  1.0
  Ni  Ni2  1  0.323  0.548  0.575  1.0
  Bi  Bi3  1  0.522  0.183  0.209  1.0
  Bi  Bi4  1  0.798  0.683  0.872  1.0
  O  O5  1  0.093  0.860  0.702  1.0
  O  O6  1  0.848  0.714  0.214  1.0
  O  O7  1  0.602  0.318  0.783  1.0
  O  O8  1  0.094  0.343  0.722  1.0
  O  O9  1  0.839  0.215  0.227  1.0
  O  O10  1  0.375  0.648  0.185  1.0
[/CIF]
.