The crystal structure described by MgNbV3O10 crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Nb(1) is bonded to four equivalent O(3) atoms to form NbO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Nb(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. In the second V site, V(2) is bonded to four equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Nb(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNbV3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.635
_cell_length_b   6.635
_cell_length_c   5.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.691
_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  0.250  0.750  0.000  1.0
  Nb  Nb1  1  0.750  0.250  0.500  1.0
  V  V2  1  0.250  0.250  0.631  1.0
  V  V3  1  0.750  0.750  0.369  1.0
  V  V4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.043  0.750  0.278  1.0
  O  O6  1  0.250  0.250  0.330  1.0
  O  O7  1  0.250  0.543  0.722  1.0
  O  O8  1  0.250  0.957  0.722  1.0
  O  O9  1  0.457  0.750  0.278  1.0
  O  O10  1  0.527  0.250  0.711  1.0
  O  O11  1  0.750  0.027  0.289  1.0
  O  O12  1  0.750  0.473  0.289  1.0
  O  O13  1  0.750  0.750  0.670  1.0
  O  O14  1  0.973  0.250  0.711  1.0
[/CIF]
.
The crystal structure described by MgNbV3O10 crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Nb(1) is bonded to four equivalent O(3) atoms to form NbO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Nb(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. In the second V site, V(2) is bonded to four equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Nb(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNbV3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.635
_cell_length_b   6.635
_cell_length_c   5.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.691
_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  0.250  0.750  0.000  1.0
  Nb  Nb1  1  0.750  0.250  0.500  1.0
  V  V2  1  0.250  0.250  0.631  1.0
  V  V3  1  0.750  0.750  0.369  1.0
  V  V4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.043  0.750  0.278  1.0
  O  O6  1  0.250  0.250  0.330  1.0
  O  O7  1  0.250  0.543  0.722  1.0
  O  O8  1  0.250  0.957  0.722  1.0
  O  O9  1  0.457  0.750  0.278  1.0
  O  O10  1  0.527  0.250  0.711  1.0
  O  O11  1  0.750  0.027  0.289  1.0
  O  O12  1  0.750  0.473  0.289  1.0
  O  O13  1  0.750  0.750  0.670  1.0
  O  O14  1  0.973  0.250  0.711  1.0
[/CIF]
.