The crystal structure described by MgBO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(6), two equivalent O(2), and three equivalent O(5) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second Mg site, Mg(2) is bonded to one O(4), two equivalent O(6), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded to three equivalent Mg(1) and one B(2) atom to form a mixture of distorted corner and edge-sharing OMg3B tetrahedra. In the second O site, O(6) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mg(2) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Mg(2) and one B(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.220
_cell_length_b   10.434
_cell_length_c   12.485
_cell_angle_alpha   90.000
_cell_angle_beta   95.096
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   417.860
_cell_formula_units_Z   8
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  0.758  0.631  0.994  1.0
  Mg  Mg1  1  0.242  0.131  0.506  1.0
  Mg  Mg2  1  0.242  0.369  0.006  1.0
  Mg  Mg3  1  0.758  0.869  0.494  1.0
  Mg  Mg4  1  0.289  0.918  0.095  1.0
  Mg  Mg5  1  0.711  0.418  0.405  1.0
  Mg  Mg6  1  0.711  0.082  0.905  1.0
  Mg  Mg7  1  0.289  0.582  0.595  1.0
  B  B8  1  0.243  0.670  0.357  1.0
  B  B9  1  0.757  0.170  0.143  1.0
  B  B10  1  0.757  0.330  0.643  1.0
  B  B11  1  0.243  0.830  0.857  1.0
  B  B12  1  0.379  0.546  0.190  1.0
  B  B13  1  0.621  0.046  0.310  1.0
  B  B14  1  0.621  0.454  0.810  1.0
  B  B15  1  0.379  0.954  0.690  1.0
  O  O16  1  0.214  0.565  0.424  1.0
  O  O17  1  0.786  0.065  0.076  1.0
  O  O18  1  0.786  0.435  0.576  1.0
  O  O19  1  0.214  0.935  0.924  1.0
  O  O20  1  0.233  0.791  0.401  1.0
  O  O21  1  0.767  0.291  0.099  1.0
  O  O22  1  0.767  0.209  0.599  1.0
  O  O23  1  0.233  0.709  0.901  1.0
  O  O24  1  0.286  0.656  0.249  1.0
  O  O25  1  0.714  0.156  0.251  1.0
  O  O26  1  0.714  0.344  0.751  1.0
  O  O27  1  0.286  0.844  0.749  1.0
  O  O28  1  0.396  0.952  0.256  1.0
  O  O29  1  0.604  0.452  0.244  1.0
  O  O30  1  0.604  0.048  0.744  1.0
  O  O31  1  0.396  0.548  0.756  1.0
  O  O32  1  0.278  0.546  0.082  1.0
  O  O33  1  0.722  0.046  0.418  1.0
  O  O34  1  0.722  0.454  0.918  1.0
  O  O35  1  0.278  0.954  0.582  1.0
  O  O36  1  0.787  0.799  0.077  1.0
  O  O37  1  0.213  0.299  0.423  1.0
  O  O38  1  0.213  0.201  0.923  1.0
  O  O39  1  0.787  0.701  0.577  1.0
[/CIF]
.
The crystal structure described by MgBO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(6), two equivalent O(2), and three equivalent O(5) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second Mg site, Mg(2) is bonded to one O(4), two equivalent O(6), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded to three equivalent Mg(1) and one B(2) atom to form a mixture of distorted corner and edge-sharing OMg3B tetrahedra. In the second O site, O(6) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mg(2) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Mg(2) and one B(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.220
_cell_length_b   10.434
_cell_length_c   12.485
_cell_angle_alpha   90.000
_cell_angle_beta   95.096
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   417.860
_cell_formula_units_Z   8
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  0.758  0.631  0.994  1.0
  Mg  Mg1  1  0.242  0.131  0.506  1.0
  Mg  Mg2  1  0.242  0.369  0.006  1.0
  Mg  Mg3  1  0.758  0.869  0.494  1.0
  Mg  Mg4  1  0.289  0.918  0.095  1.0
  Mg  Mg5  1  0.711  0.418  0.405  1.0
  Mg  Mg6  1  0.711  0.082  0.905  1.0
  Mg  Mg7  1  0.289  0.582  0.595  1.0
  B  B8  1  0.243  0.670  0.357  1.0
  B  B9  1  0.757  0.170  0.143  1.0
  B  B10  1  0.757  0.330  0.643  1.0
  B  B11  1  0.243  0.830  0.857  1.0
  B  B12  1  0.379  0.546  0.190  1.0
  B  B13  1  0.621  0.046  0.310  1.0
  B  B14  1  0.621  0.454  0.810  1.0
  B  B15  1  0.379  0.954  0.690  1.0
  O  O16  1  0.214  0.565  0.424  1.0
  O  O17  1  0.786  0.065  0.076  1.0
  O  O18  1  0.786  0.435  0.576  1.0
  O  O19  1  0.214  0.935  0.924  1.0
  O  O20  1  0.233  0.791  0.401  1.0
  O  O21  1  0.767  0.291  0.099  1.0
  O  O22  1  0.767  0.209  0.599  1.0
  O  O23  1  0.233  0.709  0.901  1.0
  O  O24  1  0.286  0.656  0.249  1.0
  O  O25  1  0.714  0.156  0.251  1.0
  O  O26  1  0.714  0.344  0.751  1.0
  O  O27  1  0.286  0.844  0.749  1.0
  O  O28  1  0.396  0.952  0.256  1.0
  O  O29  1  0.604  0.452  0.244  1.0
  O  O30  1  0.604  0.048  0.744  1.0
  O  O31  1  0.396  0.548  0.756  1.0
  O  O32  1  0.278  0.546  0.082  1.0
  O  O33  1  0.722  0.046  0.418  1.0
  O  O34  1  0.722  0.454  0.918  1.0
  O  O35  1  0.278  0.954  0.582  1.0
  O  O36  1  0.787  0.799  0.077  1.0
  O  O37  1  0.213  0.299  0.423  1.0
  O  O38  1  0.213  0.201  0.923  1.0
  O  O39  1  0.787  0.701  0.577  1.0
[/CIF]
.