The material described by Mg14NbAlO16 is Molybdenum Carbide MAX Phase-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 O(9,9) 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 Al(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 equivalent O(2); two equivalent O(7); and two O(9,9) 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 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 Al(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. 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 corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 Al(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. 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 Nb(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. 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 Nb(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. 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 Al(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 3-17°. Nb(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent Nb(1)O6 octahedra; corners with two equivalent Al(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. Al(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Al(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. 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 Al(1) atom to form OMg5Al octahedra that share corners with two equivalent O(2)Mg5Nb octahedra; corners with four equivalent O(1)Mg5Al octahedra; edges with two equivalent O(4)Mg4Al2 octahedra; edges with two equivalent O(8)Mg4NbAl octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Nb(1) atom to form OMg5Nb octahedra that share corners with two equivalent O(1)Mg5Al octahedra; corners with four equivalent O(2)Mg5Nb octahedra; edges with two equivalent O(5)Mg4Nb2 octahedra; edges with two equivalent O(8)Mg4NbAl octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third 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(4)Mg4Al2 octahedra,  an edgeedge with one O(5)Mg4Nb2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4NbAl octahedra, edges with two equivalent O(1)Mg5Al octahedra, edges with two equivalent O(2)Mg5Nb octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Al(1) atoms to form OMg4Al2 octahedra that share corners with two equivalent O(4)Mg4Al2 octahedra, corners with two equivalent O(5)Mg4Nb2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4NbAl octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3); two Mg(6,6); and two equivalent Nb(1) atoms to form OMg4Nb2 octahedra that share corners with two equivalent O(4)Mg4Al2 octahedra, corners with two equivalent O(5)Mg4Nb2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)Mg4NbAl octahedra, edges with four equivalent O(2)Mg5Nb octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth 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)Mg4Al2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(1)Mg5Al octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh 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)Mg4Nb2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(2)Mg5Nb octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Nb(1), and one Al(1) atom to form distorted OMg4NbAl octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)Mg4NbAl octahedra, edges with two equivalent O(4)Mg4Al2 octahedra, edges with two equivalent O(5)Mg4Nb2 octahedra, edges with two equivalent O(1)Mg5Al octahedra, edges with two equivalent O(2)Mg5Nb octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the ninth 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)Mg4NbAl octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)Mg5Al octahedra; edges with two equivalent O(2)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 0-11°. 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)Mg4NbAl octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)Mg5Al octahedra; edges with two equivalent O(2)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 0-11°. is represented by the CIF card [CIF]
data_Mg14NbAlO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.257
_cell_length_b   8.564
_cell_length_c   8.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.317
_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  0.000  0.000  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.500  0.750  0.000  1.0
  Mg  Mg3  1  0.500  0.250  0.000  1.0
  Mg  Mg4  1  0.500  0.749  0.500  1.0
  Mg  Mg5  1  0.500  0.251  0.500  1.0
  Mg  Mg6  1  0.500  0.000  0.749  1.0
  Mg  Mg7  1  0.500  0.500  0.746  1.0
  Mg  Mg8  1  0.500  0.000  0.251  1.0
  Mg  Mg9  1  0.500  0.500  0.254  1.0
  Mg  Mg10  1  0.000  0.746  0.750  1.0
  Mg  Mg11  1  0.000  0.254  0.750  1.0
  Mg  Mg12  1  0.000  0.746  0.250  1.0
  Mg  Mg13  1  0.000  0.254  0.250  1.0
  Nb  Nb14  1  0.000  0.500  0.000  1.0
  Al  Al15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.000  0.000  0.764  1.0
  O  O17  1  0.000  0.500  0.730  1.0
  O  O18  1  0.000  0.000  0.236  1.0
  O  O19  1  0.000  0.500  0.270  1.0
  O  O20  1  0.500  0.751  0.750  1.0
  O  O21  1  0.500  0.249  0.750  1.0
  O  O22  1  0.500  0.751  0.250  1.0
  O  O23  1  0.500  0.249  0.250  1.0
  O  O24  1  0.500  0.000  0.000  1.0
  O  O25  1  0.500  0.500  0.000  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  0.784  0.000  1.0
  O  O29  1  0.000  0.216  0.000  1.0
  O  O30  1  0.000  0.757  0.500  1.0
  O  O31  1  0.000  0.243  0.500  1.0
[/CIF]
.
The material described by Mg14NbAlO16 is Molybdenum Carbide MAX Phase-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 O(9,9) 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 Al(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 equivalent O(2); two equivalent O(7); and two O(9,9) 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 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 Al(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. 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 corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 Al(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. 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 Nb(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. 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 Nb(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. 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 Al(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 3-17°. Nb(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent Nb(1)O6 octahedra; corners with two equivalent Al(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. Al(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Al(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. 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 Al(1) atom to form OMg5Al octahedra that share corners with two equivalent O(2)Mg5Nb octahedra; corners with four equivalent O(1)Mg5Al octahedra; edges with two equivalent O(4)Mg4Al2 octahedra; edges with two equivalent O(8)Mg4NbAl octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Nb(1) atom to form OMg5Nb octahedra that share corners with two equivalent O(1)Mg5Al octahedra; corners with four equivalent O(2)Mg5Nb octahedra; edges with two equivalent O(5)Mg4Nb2 octahedra; edges with two equivalent O(8)Mg4NbAl octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third 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(4)Mg4Al2 octahedra,  an edgeedge with one O(5)Mg4Nb2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4NbAl octahedra, edges with two equivalent O(1)Mg5Al octahedra, edges with two equivalent O(2)Mg5Nb octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Al(1) atoms to form OMg4Al2 octahedra that share corners with two equivalent O(4)Mg4Al2 octahedra, corners with two equivalent O(5)Mg4Nb2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4NbAl octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3); two Mg(6,6); and two equivalent Nb(1) atoms to form OMg4Nb2 octahedra that share corners with two equivalent O(4)Mg4Al2 octahedra, corners with two equivalent O(5)Mg4Nb2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)Mg4NbAl octahedra, edges with four equivalent O(2)Mg5Nb octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth 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)Mg4Al2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(1)Mg5Al octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh 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)Mg4Nb2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(2)Mg5Nb octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Nb(1), and one Al(1) atom to form distorted OMg4NbAl octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)Mg4NbAl octahedra, edges with two equivalent O(4)Mg4Al2 octahedra, edges with two equivalent O(5)Mg4Nb2 octahedra, edges with two equivalent O(1)Mg5Al octahedra, edges with two equivalent O(2)Mg5Nb octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the ninth 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)Mg4NbAl octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)Mg5Al octahedra; edges with two equivalent O(2)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 0-11°. 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)Mg4NbAl octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)Mg5Al octahedra; edges with two equivalent O(2)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 0-11°. is represented by the CIF card [CIF]
data_Mg14NbAlO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.257
_cell_length_b   8.564
_cell_length_c   8.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.317
_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  0.000  0.000  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.500  0.750  0.000  1.0
  Mg  Mg3  1  0.500  0.250  0.000  1.0
  Mg  Mg4  1  0.500  0.749  0.500  1.0
  Mg  Mg5  1  0.500  0.251  0.500  1.0
  Mg  Mg6  1  0.500  0.000  0.749  1.0
  Mg  Mg7  1  0.500  0.500  0.746  1.0
  Mg  Mg8  1  0.500  0.000  0.251  1.0
  Mg  Mg9  1  0.500  0.500  0.254  1.0
  Mg  Mg10  1  0.000  0.746  0.750  1.0
  Mg  Mg11  1  0.000  0.254  0.750  1.0
  Mg  Mg12  1  0.000  0.746  0.250  1.0
  Mg  Mg13  1  0.000  0.254  0.250  1.0
  Nb  Nb14  1  0.000  0.500  0.000  1.0
  Al  Al15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.000  0.000  0.764  1.0
  O  O17  1  0.000  0.500  0.730  1.0
  O  O18  1  0.000  0.000  0.236  1.0
  O  O19  1  0.000  0.500  0.270  1.0
  O  O20  1  0.500  0.751  0.750  1.0
  O  O21  1  0.500  0.249  0.750  1.0
  O  O22  1  0.500  0.751  0.250  1.0
  O  O23  1  0.500  0.249  0.250  1.0
  O  O24  1  0.500  0.000  0.000  1.0
  O  O25  1  0.500  0.500  0.000  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  0.784  0.000  1.0
  O  O29  1  0.000  0.216  0.000  1.0
  O  O30  1  0.000  0.757  0.500  1.0
  O  O31  1  0.000  0.243  0.500  1.0
[/CIF]
.