The material structure described by Mg2Nb3Bi3O14 crystallizes in the trigonal R-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to two equivalent O(1) and six equivalent O(2) atoms. In the second Mg site, Mg(2) is bonded to six equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Nb(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Bi(1) atoms to form OMgBi3 tetrahedra that share corners with four equivalent O(1)MgBi3 tetrahedra, corners with six equivalent O(3)MgNbBi2 tetrahedra, and edges with three equivalent O(3)MgNbBi2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Nb(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Mg(2), one Nb(1), and two equivalent Bi(1) atoms to form distorted OMgNbBi2 tetrahedra that share corners with two equivalent O(1)MgBi3 tetrahedra, corners with eight equivalent O(3)MgNbBi2 tetrahedra,  an edgeedge with one O(1)MgBi3 tetrahedra, and edges with two equivalent O(3)MgNbBi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Nb3Bi3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.334
_cell_length_c   7.334
_cell_angle_alpha   61.844
_cell_angle_beta   61.844
_cell_angle_gamma   61.844
_symmetry_Int_Tables_number   1
_cell_volume   290.428
_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  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.500  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.389  0.389  0.389  1.0
  O  O9  1  0.611  0.611  0.611  1.0
  O  O10  1  0.925  0.319  0.319  1.0
  O  O11  1  0.343  0.913  0.913  1.0
  O  O12  1  0.319  0.319  0.925  1.0
  O  O13  1  0.913  0.913  0.343  1.0
  O  O14  1  0.913  0.343  0.913  1.0
  O  O15  1  0.319  0.925  0.319  1.0
  O  O16  1  0.075  0.681  0.681  1.0
  O  O17  1  0.657  0.087  0.087  1.0
  O  O18  1  0.681  0.681  0.075  1.0
  O  O19  1  0.087  0.087  0.657  1.0
  O  O20  1  0.087  0.657  0.087  1.0
  O  O21  1  0.681  0.075  0.681  1.0
[/CIF]
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The material structure described by Mg2Nb3Bi3O14 crystallizes in the trigonal R-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to two equivalent O(1) and six equivalent O(2) atoms. In the second Mg site, Mg(2) is bonded to six equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Nb(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Bi(1) atoms to form OMgBi3 tetrahedra that share corners with four equivalent O(1)MgBi3 tetrahedra, corners with six equivalent O(3)MgNbBi2 tetrahedra, and edges with three equivalent O(3)MgNbBi2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Nb(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Mg(2), one Nb(1), and two equivalent Bi(1) atoms to form distorted OMgNbBi2 tetrahedra that share corners with two equivalent O(1)MgBi3 tetrahedra, corners with eight equivalent O(3)MgNbBi2 tetrahedra,  an edgeedge with one O(1)MgBi3 tetrahedra, and edges with two equivalent O(3)MgNbBi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Nb3Bi3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.334
_cell_length_c   7.334
_cell_angle_alpha   61.844
_cell_angle_beta   61.844
_cell_angle_gamma   61.844
_symmetry_Int_Tables_number   1
_cell_volume   290.428
_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  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.500  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.389  0.389  0.389  1.0
  O  O9  1  0.611  0.611  0.611  1.0
  O  O10  1  0.925  0.319  0.319  1.0
  O  O11  1  0.343  0.913  0.913  1.0
  O  O12  1  0.319  0.319  0.925  1.0
  O  O13  1  0.913  0.913  0.343  1.0
  O  O14  1  0.913  0.343  0.913  1.0
  O  O15  1  0.319  0.925  0.319  1.0
  O  O16  1  0.075  0.681  0.681  1.0
  O  O17  1  0.657  0.087  0.087  1.0
  O  O18  1  0.681  0.681  0.075  1.0
  O  O19  1  0.087  0.087  0.657  1.0
  O  O20  1  0.087  0.657  0.087  1.0
  O  O21  1  0.681  0.075  0.681  1.0
[/CIF]
.