The structure described by Mg2BO3F crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form MgO5F octahedra that share corners with three equivalent Mg(2)O3F3 octahedra, edges with two equivalent Mg(2)O3F3 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the second Mg site, Mg(2) is bonded to one O(1), two equivalent O(3), and three equivalent F(1) atoms to form MgO3F3 octahedra that share corners with three equivalent Mg(1)O5F octahedra, edges with two equivalent Mg(1)O5F octahedra, and edges with four equivalent Mg(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Mg(2), and one B(1) atom to form distorted OMg3B trigonal pyramids that share corners with five equivalent F(1)Mg4 tetrahedra, corners with two equivalent O(3)Mg3B trigonal pyramids, and  an edgeedge with one F(1)Mg4 tetrahedra. F(1) is bonded to one Mg(1) and three equivalent Mg(2) atoms to form FMg4 tetrahedra that share corners with two equivalent F(1)Mg4 tetrahedra, corners with five equivalent O(3)Mg3B trigonal pyramids, edges with two equivalent F(1)Mg4 tetrahedra, and  an edgeedge with one O(3)Mg3B trigonal pyramid. is represented by the CIF file [CIF]
data_Mg2BO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.139
_cell_length_b   9.441
_cell_length_c   9.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.651
_cell_formula_units_Z   4
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  0.601  0.819  1.0
  Mg  Mg1  1  0.750  0.899  0.319  1.0
  Mg  Mg2  1  0.250  0.101  0.681  1.0
  Mg  Mg3  1  0.750  0.399  0.181  1.0
  Mg  Mg4  1  0.750  0.364  0.570  1.0
  Mg  Mg5  1  0.250  0.636  0.430  1.0
  Mg  Mg6  1  0.750  0.864  0.930  1.0
  Mg  Mg7  1  0.250  0.136  0.070  1.0
  B  B8  1  0.750  0.827  0.631  1.0
  B  B9  1  0.750  0.327  0.869  1.0
  B  B10  1  0.250  0.673  0.131  1.0
  B  B11  1  0.250  0.173  0.369  1.0
  O  O12  1  0.250  0.257  0.248  1.0
  O  O13  1  0.250  0.757  0.252  1.0
  O  O14  1  0.750  0.743  0.752  1.0
  O  O15  1  0.750  0.470  0.856  1.0
  O  O16  1  0.250  0.030  0.356  1.0
  O  O17  1  0.750  0.243  0.748  1.0
  O  O18  1  0.750  0.970  0.644  1.0
  O  O19  1  0.250  0.530  0.144  1.0
  O  O20  1  0.250  0.238  0.502  1.0
  O  O21  1  0.750  0.762  0.498  1.0
  O  O22  1  0.250  0.738  0.998  1.0
  O  O23  1  0.750  0.262  0.002  1.0
  F  F24  1  0.250  0.507  0.610  1.0
  F  F25  1  0.250  0.007  0.890  1.0
  F  F26  1  0.750  0.993  0.110  1.0
  F  F27  1  0.750  0.493  0.390  1.0
[/CIF]
.
The structure described by Mg2BO3F crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form MgO5F octahedra that share corners with three equivalent Mg(2)O3F3 octahedra, edges with two equivalent Mg(2)O3F3 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the second Mg site, Mg(2) is bonded to one O(1), two equivalent O(3), and three equivalent F(1) atoms to form MgO3F3 octahedra that share corners with three equivalent Mg(1)O5F octahedra, edges with two equivalent Mg(1)O5F octahedra, and edges with four equivalent Mg(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Mg(2), and one B(1) atom to form distorted OMg3B trigonal pyramids that share corners with five equivalent F(1)Mg4 tetrahedra, corners with two equivalent O(3)Mg3B trigonal pyramids, and  an edgeedge with one F(1)Mg4 tetrahedra. F(1) is bonded to one Mg(1) and three equivalent Mg(2) atoms to form FMg4 tetrahedra that share corners with two equivalent F(1)Mg4 tetrahedra, corners with five equivalent O(3)Mg3B trigonal pyramids, edges with two equivalent F(1)Mg4 tetrahedra, and  an edgeedge with one O(3)Mg3B trigonal pyramid. is represented by the CIF file [CIF]
data_Mg2BO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.139
_cell_length_b   9.441
_cell_length_c   9.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.651
_cell_formula_units_Z   4
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  0.601  0.819  1.0
  Mg  Mg1  1  0.750  0.899  0.319  1.0
  Mg  Mg2  1  0.250  0.101  0.681  1.0
  Mg  Mg3  1  0.750  0.399  0.181  1.0
  Mg  Mg4  1  0.750  0.364  0.570  1.0
  Mg  Mg5  1  0.250  0.636  0.430  1.0
  Mg  Mg6  1  0.750  0.864  0.930  1.0
  Mg  Mg7  1  0.250  0.136  0.070  1.0
  B  B8  1  0.750  0.827  0.631  1.0
  B  B9  1  0.750  0.327  0.869  1.0
  B  B10  1  0.250  0.673  0.131  1.0
  B  B11  1  0.250  0.173  0.369  1.0
  O  O12  1  0.250  0.257  0.248  1.0
  O  O13  1  0.250  0.757  0.252  1.0
  O  O14  1  0.750  0.743  0.752  1.0
  O  O15  1  0.750  0.470  0.856  1.0
  O  O16  1  0.250  0.030  0.356  1.0
  O  O17  1  0.750  0.243  0.748  1.0
  O  O18  1  0.750  0.970  0.644  1.0
  O  O19  1  0.250  0.530  0.144  1.0
  O  O20  1  0.250  0.238  0.502  1.0
  O  O21  1  0.750  0.762  0.498  1.0
  O  O22  1  0.250  0.738  0.998  1.0
  O  O23  1  0.750  0.262  0.002  1.0
  F  F24  1  0.250  0.507  0.610  1.0
  F  F25  1  0.250  0.007  0.890  1.0
  F  F26  1  0.750  0.993  0.110  1.0
  F  F27  1  0.750  0.493  0.390  1.0
[/CIF]
.