The crystal structure described by MgNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MgO6 octahedra. Nb(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_MgNb2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   5.746
_cell_length_c   14.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.815
_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  0.750  0.836  0.000  1.0
  Mg  Mg1  1  0.250  0.664  0.500  1.0
  Mg  Mg2  1  0.250  0.164  0.000  1.0
  Mg  Mg3  1  0.750  0.336  0.500  1.0
  Nb  Nb4  1  0.752  0.815  0.659  1.0
  Nb  Nb5  1  0.252  0.685  0.841  1.0
  Nb  Nb6  1  0.748  0.815  0.341  1.0
  Nb  Nb7  1  0.248  0.685  0.159  1.0
  Nb  Nb8  1  0.752  0.315  0.841  1.0
  Nb  Nb9  1  0.252  0.185  0.659  1.0
  Nb  Nb10  1  0.748  0.315  0.159  1.0
  Nb  Nb11  1  0.248  0.185  0.341  1.0
  O  O12  1  0.420  0.377  0.244  1.0
  O  O13  1  0.920  0.123  0.256  1.0
  O  O14  1  0.080  0.377  0.756  1.0
  O  O15  1  0.580  0.123  0.744  1.0
  O  O16  1  0.580  0.623  0.756  1.0
  O  O17  1  0.080  0.877  0.744  1.0
  O  O18  1  0.920  0.623  0.244  1.0
  O  O19  1  0.420  0.877  0.256  1.0
  O  O20  1  0.088  0.387  0.421  1.0
  O  O21  1  0.588  0.113  0.079  1.0
  O  O22  1  0.412  0.387  0.579  1.0
  O  O23  1  0.912  0.113  0.921  1.0
  O  O24  1  0.573  0.606  0.095  1.0
  O  O25  1  0.073  0.894  0.405  1.0
  O  O26  1  0.927  0.606  0.905  1.0
  O  O27  1  0.427  0.894  0.595  1.0
  O  O28  1  0.427  0.394  0.905  1.0
  O  O29  1  0.927  0.106  0.595  1.0
  O  O30  1  0.073  0.394  0.095  1.0
  O  O31  1  0.573  0.106  0.405  1.0
  O  O32  1  0.088  0.887  0.079  1.0
  O  O33  1  0.588  0.613  0.421  1.0
  O  O34  1  0.412  0.887  0.921  1.0
  O  O35  1  0.912  0.613  0.579  1.0
[/CIF]
.
The crystal structure described by MgNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MgO6 octahedra. Nb(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_MgNb2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   5.746
_cell_length_c   14.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.815
_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  0.750  0.836  0.000  1.0
  Mg  Mg1  1  0.250  0.664  0.500  1.0
  Mg  Mg2  1  0.250  0.164  0.000  1.0
  Mg  Mg3  1  0.750  0.336  0.500  1.0
  Nb  Nb4  1  0.752  0.815  0.659  1.0
  Nb  Nb5  1  0.252  0.685  0.841  1.0
  Nb  Nb6  1  0.748  0.815  0.341  1.0
  Nb  Nb7  1  0.248  0.685  0.159  1.0
  Nb  Nb8  1  0.752  0.315  0.841  1.0
  Nb  Nb9  1  0.252  0.185  0.659  1.0
  Nb  Nb10  1  0.748  0.315  0.159  1.0
  Nb  Nb11  1  0.248  0.185  0.341  1.0
  O  O12  1  0.420  0.377  0.244  1.0
  O  O13  1  0.920  0.123  0.256  1.0
  O  O14  1  0.080  0.377  0.756  1.0
  O  O15  1  0.580  0.123  0.744  1.0
  O  O16  1  0.580  0.623  0.756  1.0
  O  O17  1  0.080  0.877  0.744  1.0
  O  O18  1  0.920  0.623  0.244  1.0
  O  O19  1  0.420  0.877  0.256  1.0
  O  O20  1  0.088  0.387  0.421  1.0
  O  O21  1  0.588  0.113  0.079  1.0
  O  O22  1  0.412  0.387  0.579  1.0
  O  O23  1  0.912  0.113  0.921  1.0
  O  O24  1  0.573  0.606  0.095  1.0
  O  O25  1  0.073  0.894  0.405  1.0
  O  O26  1  0.927  0.606  0.905  1.0
  O  O27  1  0.427  0.894  0.595  1.0
  O  O28  1  0.427  0.394  0.905  1.0
  O  O29  1  0.927  0.106  0.595  1.0
  O  O30  1  0.073  0.394  0.095  1.0
  O  O31  1  0.573  0.106  0.405  1.0
  O  O32  1  0.088  0.887  0.079  1.0
  O  O33  1  0.588  0.613  0.421  1.0
  O  O34  1  0.412  0.887  0.921  1.0
  O  O35  1  0.912  0.613  0.579  1.0
[/CIF]
.