The crystal structure described by Mg14FeBO16 crystallizes in the orthorhombic Pmmm space group. There are seven 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 a mixture of corner and edge-sharing MgO6 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 equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. 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 0-2°. 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 3-35°. Fe(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. B(1) is bonded in a distorted linear geometry to two equivalent O(5) and two equivalent O(8) atoms. There are nine 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 Fe(1) atom to form OMg5Fe octahedra that share corners with four equivalent O(1)Mg5Fe octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Mg4Fe2 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 octahedra are not tilted. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), and two equivalent Mg(7) atoms to form distorted OMg5 square pyramids that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(1)Mg5Fe octahedra, corners with three equivalent O(2)Mg5 square pyramids, 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 1-86°. 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(5)Mg4B2 octahedra,  an edgeedge with one O(4)Mg4Fe2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe 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 equivalent Mg(6), and two equivalent B(1) atoms to form OMg4B2 octahedra that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(7)Mg6 octahedra, corners with four equivalent O(2)Mg5 square pyramids, 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)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe 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 seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(9)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Mg(3), two equivalent Mg(7), and one B(1) atom. 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 four equivalent O(9)Mg6 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Mg14FeBO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.563
_cell_length_b   8.458
_cell_length_c   4.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.489
_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  0.259  0.500  1.0
  Mg  Mg3  1  0.000  0.741  0.500  1.0
  Mg  Mg4  1  0.500  0.250  0.500  1.0
  Mg  Mg5  1  0.500  0.750  0.500  1.0
  Mg  Mg6  1  0.245  0.000  0.500  1.0
  Mg  Mg7  1  0.248  0.500  0.500  1.0
  Mg  Mg8  1  0.755  0.000  0.500  1.0
  Mg  Mg9  1  0.752  0.500  0.500  1.0
  Mg  Mg10  1  0.252  0.257  0.000  1.0
  Mg  Mg11  1  0.252  0.743  0.000  1.0
  Mg  Mg12  1  0.748  0.257  0.000  1.0
  Mg  Mg13  1  0.748  0.743  0.000  1.0
  Fe  Fe14  1  0.000  0.000  0.000  1.0
  B  B15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.246  0.000  0.000  1.0
  O  O17  1  0.264  0.500  0.000  1.0
  O  O18  1  0.754  0.000  0.000  1.0
  O  O19  1  0.736  0.500  0.000  1.0
  O  O20  1  0.246  0.250  0.500  1.0
  O  O21  1  0.246  0.750  0.500  1.0
  O  O22  1  0.754  0.250  0.500  1.0
  O  O23  1  0.754  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  0.337  0.000  1.0
  O  O29  1  0.000  0.663  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 crystal structure described by Mg14FeBO16 crystallizes in the orthorhombic Pmmm space group. There are seven 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 a mixture of corner and edge-sharing MgO6 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 equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. 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 0-2°. 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh 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 a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 3-35°. Fe(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. B(1) is bonded in a distorted linear geometry to two equivalent O(5) and two equivalent O(8) atoms. There are nine 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 Fe(1) atom to form OMg5Fe octahedra that share corners with four equivalent O(1)Mg5Fe octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Mg4Fe2 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 octahedra are not tilted. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), and two equivalent Mg(7) atoms to form distorted OMg5 square pyramids that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(1)Mg5Fe octahedra, corners with three equivalent O(2)Mg5 square pyramids, 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 1-86°. 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(5)Mg4B2 octahedra,  an edgeedge with one O(4)Mg4Fe2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe 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 equivalent Mg(6), and two equivalent B(1) atoms to form OMg4B2 octahedra that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(7)Mg6 octahedra, corners with four equivalent O(2)Mg5 square pyramids, 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)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe 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 seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4B2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(9)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Mg(3), two equivalent Mg(7), and one B(1) atom. 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 four equivalent O(9)Mg6 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Mg14FeBO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.563
_cell_length_b   8.458
_cell_length_c   4.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.489
_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  0.259  0.500  1.0
  Mg  Mg3  1  0.000  0.741  0.500  1.0
  Mg  Mg4  1  0.500  0.250  0.500  1.0
  Mg  Mg5  1  0.500  0.750  0.500  1.0
  Mg  Mg6  1  0.245  0.000  0.500  1.0
  Mg  Mg7  1  0.248  0.500  0.500  1.0
  Mg  Mg8  1  0.755  0.000  0.500  1.0
  Mg  Mg9  1  0.752  0.500  0.500  1.0
  Mg  Mg10  1  0.252  0.257  0.000  1.0
  Mg  Mg11  1  0.252  0.743  0.000  1.0
  Mg  Mg12  1  0.748  0.257  0.000  1.0
  Mg  Mg13  1  0.748  0.743  0.000  1.0
  Fe  Fe14  1  0.000  0.000  0.000  1.0
  B  B15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.246  0.000  0.000  1.0
  O  O17  1  0.264  0.500  0.000  1.0
  O  O18  1  0.754  0.000  0.000  1.0
  O  O19  1  0.736  0.500  0.000  1.0
  O  O20  1  0.246  0.250  0.500  1.0
  O  O21  1  0.246  0.750  0.500  1.0
  O  O22  1  0.754  0.250  0.500  1.0
  O  O23  1  0.754  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  0.337  0.000  1.0
  O  O29  1  0.000  0.663  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]
.