The structure described by Mg2Ta2Ni2O9 is Corundum-derived structured and crystallizes in the trigonal P-3c1 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ta(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ta(1)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 47-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ta(1), and two equivalent Ni(1) atoms to form distorted OMgTaNi2 trigonal pyramids that share corners with four equivalent O(2)Mg2Ta2 trigonal pyramids, corners with eight equivalent O(1)MgTaNi2 trigonal pyramids,  an edgeedge with one O(2)Mg2Ta2 trigonal pyramid, and edges with three equivalent O(1)MgTaNi2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ta(1) atoms to form distorted OMg2Ta2 trigonal pyramids that share corners with four equivalent O(2)Mg2Ta2 trigonal pyramids, corners with eight equivalent O(1)MgTaNi2 trigonal pyramids, edges with two equivalent O(2)Mg2Ta2 trigonal pyramids, and edges with two equivalent O(1)MgTaNi2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2Ta2Ni2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   14.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   330.117
_cell_formula_units_Z   2
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  0.333  0.667  0.190  1.0
  Mg  Mg1  1  0.333  0.667  0.690  1.0
  Mg  Mg2  1  0.667  0.333  0.810  1.0
  Mg  Mg3  1  0.667  0.333  0.310  1.0
  Ta  Ta4  1  0.000  0.000  0.143  1.0
  Ta  Ta5  1  0.000  0.000  0.643  1.0
  Ta  Ta6  1  0.000  0.000  0.857  1.0
  Ta  Ta7  1  0.000  0.000  0.357  1.0
  Ni  Ni8  1  0.333  0.667  0.487  1.0
  Ni  Ni9  1  0.333  0.667  0.987  1.0
  Ni  Ni10  1  0.667  0.333  0.513  1.0
  Ni  Ni11  1  0.667  0.333  0.013  1.0
  O  O12  1  0.347  0.026  0.415  1.0
  O  O13  1  0.679  0.653  0.415  1.0
  O  O14  1  0.974  0.321  0.415  1.0
  O  O15  1  0.679  0.026  0.915  1.0
  O  O16  1  0.347  0.321  0.915  1.0
  O  O17  1  0.974  0.653  0.915  1.0
  O  O18  1  0.653  0.974  0.585  1.0
  O  O19  1  0.321  0.347  0.585  1.0
  O  O20  1  0.026  0.679  0.585  1.0
  O  O21  1  0.321  0.974  0.085  1.0
  O  O22  1  0.653  0.679  0.085  1.0
  O  O23  1  0.026  0.347  0.085  1.0
  O  O24  1  0.289  0.289  0.250  1.0
  O  O25  1  0.000  0.711  0.250  1.0
  O  O26  1  0.711  0.000  0.250  1.0
  O  O27  1  0.000  0.289  0.750  1.0
  O  O28  1  0.289  0.000  0.750  1.0
  O  O29  1  0.711  0.711  0.750  1.0
[/CIF]
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The structure described by Mg2Ta2Ni2O9 is Corundum-derived structured and crystallizes in the trigonal P-3c1 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ta(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ta(1)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 47-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ta(1), and two equivalent Ni(1) atoms to form distorted OMgTaNi2 trigonal pyramids that share corners with four equivalent O(2)Mg2Ta2 trigonal pyramids, corners with eight equivalent O(1)MgTaNi2 trigonal pyramids,  an edgeedge with one O(2)Mg2Ta2 trigonal pyramid, and edges with three equivalent O(1)MgTaNi2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ta(1) atoms to form distorted OMg2Ta2 trigonal pyramids that share corners with four equivalent O(2)Mg2Ta2 trigonal pyramids, corners with eight equivalent O(1)MgTaNi2 trigonal pyramids, edges with two equivalent O(2)Mg2Ta2 trigonal pyramids, and edges with two equivalent O(1)MgTaNi2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2Ta2Ni2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   14.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   330.117
_cell_formula_units_Z   2
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  0.333  0.667  0.190  1.0
  Mg  Mg1  1  0.333  0.667  0.690  1.0
  Mg  Mg2  1  0.667  0.333  0.810  1.0
  Mg  Mg3  1  0.667  0.333  0.310  1.0
  Ta  Ta4  1  0.000  0.000  0.143  1.0
  Ta  Ta5  1  0.000  0.000  0.643  1.0
  Ta  Ta6  1  0.000  0.000  0.857  1.0
  Ta  Ta7  1  0.000  0.000  0.357  1.0
  Ni  Ni8  1  0.333  0.667  0.487  1.0
  Ni  Ni9  1  0.333  0.667  0.987  1.0
  Ni  Ni10  1  0.667  0.333  0.513  1.0
  Ni  Ni11  1  0.667  0.333  0.013  1.0
  O  O12  1  0.347  0.026  0.415  1.0
  O  O13  1  0.679  0.653  0.415  1.0
  O  O14  1  0.974  0.321  0.415  1.0
  O  O15  1  0.679  0.026  0.915  1.0
  O  O16  1  0.347  0.321  0.915  1.0
  O  O17  1  0.974  0.653  0.915  1.0
  O  O18  1  0.653  0.974  0.585  1.0
  O  O19  1  0.321  0.347  0.585  1.0
  O  O20  1  0.026  0.679  0.585  1.0
  O  O21  1  0.321  0.974  0.085  1.0
  O  O22  1  0.653  0.679  0.085  1.0
  O  O23  1  0.026  0.347  0.085  1.0
  O  O24  1  0.289  0.289  0.250  1.0
  O  O25  1  0.000  0.711  0.250  1.0
  O  O26  1  0.711  0.000  0.250  1.0
  O  O27  1  0.000  0.289  0.750  1.0
  O  O28  1  0.289  0.000  0.750  1.0
  O  O29  1  0.711  0.711  0.750  1.0
[/CIF]
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