The material structure described by Mg2Nb2NiO8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mg(1) and one Nb(1) atom to form a mixture of corner and edge-sharing OMg3Nb trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2Nb2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.968
_cell_length_b   9.968
_cell_length_c   5.180
_cell_angle_alpha   89.667
_cell_angle_beta   89.667
_cell_angle_gamma   35.046
_symmetry_Int_Tables_number   1
_cell_volume   295.539
_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  0.586  0.871  0.747  1.0
  Mg  Mg1  1  0.129  0.414  0.753  1.0
  Mg  Mg2  1  0.414  0.129  0.253  1.0
  Mg  Mg3  1  0.871  0.586  0.247  1.0
  Nb  Nb4  1  0.715  0.056  0.757  1.0
  Nb  Nb5  1  0.944  0.285  0.743  1.0
  Nb  Nb6  1  0.285  0.944  0.243  1.0
  Nb  Nb7  1  0.056  0.715  0.257  1.0
  Ni  Ni8  1  0.354  0.646  0.750  1.0
  Ni  Ni9  1  0.646  0.354  0.250  1.0
  O  O10  1  0.816  0.045  0.418  1.0
  O  O11  1  0.955  0.184  0.082  1.0
  O  O12  1  0.184  0.955  0.582  1.0
  O  O13  1  0.045  0.816  0.918  1.0
  O  O14  1  0.565  0.321  0.916  1.0
  O  O15  1  0.679  0.435  0.584  1.0
  O  O16  1  0.435  0.679  0.084  1.0
  O  O17  1  0.321  0.565  0.416  1.0
  O  O18  1  0.707  0.919  0.041  1.0
  O  O19  1  0.081  0.293  0.459  1.0
  O  O20  1  0.163  0.455  0.115  1.0
  O  O21  1  0.545  0.837  0.385  1.0
  O  O22  1  0.837  0.545  0.885  1.0
  O  O23  1  0.455  0.163  0.615  1.0
  O  O24  1  0.919  0.707  0.541  1.0
  O  O25  1  0.293  0.081  0.959  1.0
[/CIF]
.
The material structure described by Mg2Nb2NiO8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mg(1) and one Nb(1) atom to form a mixture of corner and edge-sharing OMg3Nb trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2Nb2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.968
_cell_length_b   9.968
_cell_length_c   5.180
_cell_angle_alpha   89.667
_cell_angle_beta   89.667
_cell_angle_gamma   35.046
_symmetry_Int_Tables_number   1
_cell_volume   295.539
_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  0.586  0.871  0.747  1.0
  Mg  Mg1  1  0.129  0.414  0.753  1.0
  Mg  Mg2  1  0.414  0.129  0.253  1.0
  Mg  Mg3  1  0.871  0.586  0.247  1.0
  Nb  Nb4  1  0.715  0.056  0.757  1.0
  Nb  Nb5  1  0.944  0.285  0.743  1.0
  Nb  Nb6  1  0.285  0.944  0.243  1.0
  Nb  Nb7  1  0.056  0.715  0.257  1.0
  Ni  Ni8  1  0.354  0.646  0.750  1.0
  Ni  Ni9  1  0.646  0.354  0.250  1.0
  O  O10  1  0.816  0.045  0.418  1.0
  O  O11  1  0.955  0.184  0.082  1.0
  O  O12  1  0.184  0.955  0.582  1.0
  O  O13  1  0.045  0.816  0.918  1.0
  O  O14  1  0.565  0.321  0.916  1.0
  O  O15  1  0.679  0.435  0.584  1.0
  O  O16  1  0.435  0.679  0.084  1.0
  O  O17  1  0.321  0.565  0.416  1.0
  O  O18  1  0.707  0.919  0.041  1.0
  O  O19  1  0.081  0.293  0.459  1.0
  O  O20  1  0.163  0.455  0.115  1.0
  O  O21  1  0.545  0.837  0.385  1.0
  O  O22  1  0.837  0.545  0.885  1.0
  O  O23  1  0.455  0.163  0.615  1.0
  O  O24  1  0.919  0.707  0.541  1.0
  O  O25  1  0.293  0.081  0.959  1.0
[/CIF]
.