The structure described by Mg14NbBiO16 is alpha Po-derived structured and crystallizes in the orthorhombic Pmmm space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two O(2,2); two equivalent O(7); and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent Bi(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; edges with four Mg(6,6)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra; corners with four equivalent Mg(3)O6 octahedra; edges with two equivalent Mg(5)O6 octahedra; edges with two Mg(6,6)O6 octahedra; edges with two equivalent Nb(1)O6 octahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra; corners with four Mg(6,6)O6 octahedra; edges with two equivalent Mg(2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two equivalent Mg(4)O6 octahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra; corners with four Mg(6,6)O6 octahedra; edges with two equivalent Mg(2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two equivalent Mg(4)O6 octahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eighth Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Nb(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two O(2,2); two equivalent O(5); and two equivalent O(8) atoms to form BiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent Nb(1)O6 octahedra; corners with two equivalent Bi(1)O6 octahedra; edges with four equivalent Mg(3)O6 octahedra; edges with four Mg(6,6)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), and one Nb(1) atom to form OMg5Nb octahedra that share corners with two equivalent O(2)Mg5Bi octahedra, corners with four equivalent O(1)Mg5Nb octahedra, edges with two equivalent O(4)Mg4Nb2 octahedra, edges with two equivalent O(8)Mg4NbBi octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Bi(1) atom to form OMg5Bi octahedra that share corners with two equivalent O(1)Mg5Nb octahedra; corners with four O(2,2)Mg5Bi octahedra; edges with two equivalent O(5)Mg4Bi2 octahedra; edges with two equivalent O(8)Mg4NbBi octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two equivalent O(9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Bi(1) atom to form OMg5Bi octahedra that share corners with two equivalent O(1)Mg5Nb octahedra; corners with four O(2,2)Mg5Bi octahedra; edges with two equivalent O(5)Mg4Bi2 octahedra; edges with two equivalent O(8)Mg4NbBi octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two equivalent O(9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(5)Mg4Bi2 octahedra,  an edgeedge with one O(4)Mg4Nb2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4NbBi octahedra, edges with two equivalent O(2)Mg5Bi octahedra, edges with two equivalent O(1)Mg5Nb octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Nb(1) atoms to form OMg4Nb2 octahedra that share corners with two equivalent O(5)Mg4Bi2 octahedra, corners with two equivalent O(4)Mg4Nb2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4NbBi octahedra, edges with four equivalent O(1)Mg5Nb octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(5) is bonded to two equivalent Mg(3); two Mg(6,6); and two equivalent Bi(1) atoms to form OMg4Bi2 octahedra that share corners with two equivalent O(5)Mg4Bi2 octahedra; corners with two equivalent O(4)Mg4Nb2 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(8)Mg4NbBi octahedra; edges with four O(2,2)Mg5Bi octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Nb2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Nb octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(7) is bonded to two equivalent Mg(2); two equivalent Mg(4); and two Mg(6,6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4Bi2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four O(2,2)Mg5Bi octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Nb(1), and one Bi(1) atom to form OMg4NbBi octahedra that share corners with two equivalent O(9)Mg6 octahedra; corners with four equivalent O(8)Mg4NbBi octahedra; edges with two equivalent O(5)Mg4Bi2 octahedra; edges with two equivalent O(4)Mg4Nb2 octahedra; edges with two O(2,2)Mg5Bi octahedra; edges with two equivalent O(1)Mg5Nb octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg4NbBi octahedra; corners with four equivalent O(9)Mg6 octahedra; edges with two O(2,2)Mg5Bi octahedra; edges with two equivalent O(1)Mg5Nb octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two equivalent O(7)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14NbBiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.779
_cell_length_b   8.831
_cell_length_c   4.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.225
_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  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.000  0.240  0.500  1.0
  Mg  Mg3  1  0.000  0.760  0.500  1.0
  Mg  Mg4  1  0.500  0.248  0.500  1.0
  Mg  Mg5  1  0.500  0.752  0.500  1.0
  Mg  Mg6  1  0.256  0.000  0.500  1.0
  Mg  Mg7  1  0.264  0.500  0.500  1.0
  Mg  Mg8  1  0.744  0.000  0.500  1.0
  Mg  Mg9  1  0.736  0.500  0.500  1.0
  Mg  Mg10  1  0.260  0.245  0.000  1.0
  Mg  Mg11  1  0.260  0.755  0.000  1.0
  Mg  Mg12  1  0.740  0.245  0.000  1.0
  Mg  Mg13  1  0.740  0.755  0.000  1.0
  Nb  Nb14  1  0.000  0.000  0.000  1.0
  Bi  Bi15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.263  0.000  0.000  1.0
  O  O17  1  0.274  0.500  0.000  1.0
  O  O18  1  0.737  0.000  0.000  1.0
  O  O19  1  0.726  0.500  0.000  1.0
  O  O20  1  0.249  0.250  0.500  1.0
  O  O21  1  0.249  0.750  0.500  1.0
  O  O22  1  0.751  0.250  0.500  1.0
  O  O23  1  0.751  0.750  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.243  0.000  1.0
  O  O29  1  0.000  0.757  0.000  1.0
  O  O30  1  0.500  0.246  0.000  1.0
  O  O31  1  0.500  0.754  0.000  1.0
[/CIF]
.
The structure described by Mg14NbBiO16 is alpha Po-derived structured and crystallizes in the orthorhombic Pmmm space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two O(2,2); two equivalent O(7); and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent Bi(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; edges with four Mg(6,6)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra; corners with four equivalent Mg(3)O6 octahedra; edges with two equivalent Mg(5)O6 octahedra; edges with two Mg(6,6)O6 octahedra; edges with two equivalent Nb(1)O6 octahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra; corners with four Mg(6,6)O6 octahedra; edges with two equivalent Mg(2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two equivalent Mg(4)O6 octahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra; corners with four Mg(6,6)O6 octahedra; edges with two equivalent Mg(2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two equivalent Mg(4)O6 octahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eighth Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Nb(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two O(2,2); two equivalent O(5); and two equivalent O(8) atoms to form BiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent Nb(1)O6 octahedra; corners with two equivalent Bi(1)O6 octahedra; edges with four equivalent Mg(3)O6 octahedra; edges with four Mg(6,6)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), and one Nb(1) atom to form OMg5Nb octahedra that share corners with two equivalent O(2)Mg5Bi octahedra, corners with four equivalent O(1)Mg5Nb octahedra, edges with two equivalent O(4)Mg4Nb2 octahedra, edges with two equivalent O(8)Mg4NbBi octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Bi(1) atom to form OMg5Bi octahedra that share corners with two equivalent O(1)Mg5Nb octahedra; corners with four O(2,2)Mg5Bi octahedra; edges with two equivalent O(5)Mg4Bi2 octahedra; edges with two equivalent O(8)Mg4NbBi octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two equivalent O(9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Bi(1) atom to form OMg5Bi octahedra that share corners with two equivalent O(1)Mg5Nb octahedra; corners with four O(2,2)Mg5Bi octahedra; edges with two equivalent O(5)Mg4Bi2 octahedra; edges with two equivalent O(8)Mg4NbBi octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two equivalent O(9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(5)Mg4Bi2 octahedra,  an edgeedge with one O(4)Mg4Nb2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4NbBi octahedra, edges with two equivalent O(2)Mg5Bi octahedra, edges with two equivalent O(1)Mg5Nb octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Nb(1) atoms to form OMg4Nb2 octahedra that share corners with two equivalent O(5)Mg4Bi2 octahedra, corners with two equivalent O(4)Mg4Nb2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4NbBi octahedra, edges with four equivalent O(1)Mg5Nb octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(5) is bonded to two equivalent Mg(3); two Mg(6,6); and two equivalent Bi(1) atoms to form OMg4Bi2 octahedra that share corners with two equivalent O(5)Mg4Bi2 octahedra; corners with two equivalent O(4)Mg4Nb2 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(8)Mg4NbBi octahedra; edges with four O(2,2)Mg5Bi octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Nb2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Nb octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(7) is bonded to two equivalent Mg(2); two equivalent Mg(4); and two Mg(6,6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4Bi2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four O(2,2)Mg5Bi octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Nb(1), and one Bi(1) atom to form OMg4NbBi octahedra that share corners with two equivalent O(9)Mg6 octahedra; corners with four equivalent O(8)Mg4NbBi octahedra; edges with two equivalent O(5)Mg4Bi2 octahedra; edges with two equivalent O(4)Mg4Nb2 octahedra; edges with two O(2,2)Mg5Bi octahedra; edges with two equivalent O(1)Mg5Nb octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg4NbBi octahedra; corners with four equivalent O(9)Mg6 octahedra; edges with two O(2,2)Mg5Bi octahedra; edges with two equivalent O(1)Mg5Nb octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two equivalent O(7)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14NbBiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.779
_cell_length_b   8.831
_cell_length_c   4.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.225
_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  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.000  0.240  0.500  1.0
  Mg  Mg3  1  0.000  0.760  0.500  1.0
  Mg  Mg4  1  0.500  0.248  0.500  1.0
  Mg  Mg5  1  0.500  0.752  0.500  1.0
  Mg  Mg6  1  0.256  0.000  0.500  1.0
  Mg  Mg7  1  0.264  0.500  0.500  1.0
  Mg  Mg8  1  0.744  0.000  0.500  1.0
  Mg  Mg9  1  0.736  0.500  0.500  1.0
  Mg  Mg10  1  0.260  0.245  0.000  1.0
  Mg  Mg11  1  0.260  0.755  0.000  1.0
  Mg  Mg12  1  0.740  0.245  0.000  1.0
  Mg  Mg13  1  0.740  0.755  0.000  1.0
  Nb  Nb14  1  0.000  0.000  0.000  1.0
  Bi  Bi15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.263  0.000  0.000  1.0
  O  O17  1  0.274  0.500  0.000  1.0
  O  O18  1  0.737  0.000  0.000  1.0
  O  O19  1  0.726  0.500  0.000  1.0
  O  O20  1  0.249  0.250  0.500  1.0
  O  O21  1  0.249  0.750  0.500  1.0
  O  O22  1  0.751  0.250  0.500  1.0
  O  O23  1  0.751  0.750  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.243  0.000  1.0
  O  O29  1  0.000  0.757  0.000  1.0
  O  O30  1  0.500  0.246  0.000  1.0
  O  O31  1  0.500  0.754  0.000  1.0
[/CIF]
.