The crystal structure described by MgNb2O5 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing NbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Nb2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.706
_cell_length_b   4.038
_cell_length_c   7.223
_cell_angle_alpha   90.840
_cell_angle_beta   104.865
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   104.474
_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  0.500  0.500  0.000  1.0
  Nb  Nb1  1  0.144  0.010  0.288  1.0
  Nb  Nb2  1  0.856  0.990  0.712  1.0
  O  O3  1  0.118  0.506  0.235  1.0
  O  O4  1  0.882  0.494  0.765  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.304  0.984  0.609  1.0
  O  O7  1  0.696  0.016  0.391  1.0
[/CIF]
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The crystal structure described by MgNb2O5 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing NbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Nb2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.706
_cell_length_b   4.038
_cell_length_c   7.223
_cell_angle_alpha   90.840
_cell_angle_beta   104.865
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   104.474
_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  0.500  0.500  0.000  1.0
  Nb  Nb1  1  0.144  0.010  0.288  1.0
  Nb  Nb2  1  0.856  0.990  0.712  1.0
  O  O3  1  0.118  0.506  0.235  1.0
  O  O4  1  0.882  0.494  0.765  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.304  0.984  0.609  1.0
  O  O7  1  0.696  0.016  0.391  1.0
[/CIF]
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