The material structure described by MgNb2V2O10 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. Nb(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form NbO5 trigonal bipyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to four equivalent O(3) atoms to form distorted VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2V2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.664
_cell_length_b   6.664
_cell_length_c   5.624
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.727
_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  0.750  0.250  0.000  1.0
  Nb  Nb1  1  0.250  0.250  0.800  1.0
  Nb  Nb2  1  0.750  0.750  0.200  1.0
  V  V3  1  0.250  0.750  0.500  1.0
  V  V4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.037  0.746  0.320  1.0
  O  O6  1  0.246  0.963  0.680  1.0
  O  O7  1  0.250  0.250  0.113  1.0
  O  O8  1  0.254  0.537  0.680  1.0
  O  O9  1  0.463  0.754  0.320  1.0
  O  O10  1  0.547  0.247  0.740  1.0
  O  O11  1  0.747  0.453  0.260  1.0
  O  O12  1  0.750  0.750  0.887  1.0
  O  O13  1  0.753  0.047  0.260  1.0
  O  O14  1  0.953  0.253  0.740  1.0
[/CIF]
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The material structure described by MgNb2V2O10 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. Nb(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form NbO5 trigonal bipyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to four equivalent O(3) atoms to form distorted VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2V2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.664
_cell_length_b   6.664
_cell_length_c   5.624
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.727
_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  0.750  0.250  0.000  1.0
  Nb  Nb1  1  0.250  0.250  0.800  1.0
  Nb  Nb2  1  0.750  0.750  0.200  1.0
  V  V3  1  0.250  0.750  0.500  1.0
  V  V4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.037  0.746  0.320  1.0
  O  O6  1  0.246  0.963  0.680  1.0
  O  O7  1  0.250  0.250  0.113  1.0
  O  O8  1  0.254  0.537  0.680  1.0
  O  O9  1  0.463  0.754  0.320  1.0
  O  O10  1  0.547  0.247  0.740  1.0
  O  O11  1  0.747  0.453  0.260  1.0
  O  O12  1  0.750  0.750  0.887  1.0
  O  O13  1  0.753  0.047  0.260  1.0
  O  O14  1  0.953  0.253  0.740  1.0
[/CIF]
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