The material structure described by Mg2B2O5 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(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing MgO6 octahedra. In the second Mg site, Mg(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(4) atoms to form edge-sharing MgO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one B(1), and one B(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(2) atom. In the third O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and one B(2) atom to form a mixture of distorted edge and corner-sharing OMg3B tetrahedra. In the fourth O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and one B(1) atom to form a mixture of distorted edge and corner-sharing OMg3B trigonal pyramids. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg(2) and one B(1) atom. is represented by the CIF file [CIF]
data_Mg2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.106
_cell_length_b   9.181
_cell_length_c   12.326
_cell_angle_alpha   75.736
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.640
_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  0.793  0.646  0.604  1.0
  Mg  Mg1  1  0.293  0.354  0.896  1.0
  Mg  Mg2  1  0.207  0.354  0.396  1.0
  Mg  Mg3  1  0.707  0.646  0.104  1.0
  Mg  Mg4  1  0.718  0.103  0.313  1.0
  Mg  Mg5  1  0.218  0.897  0.187  1.0
  Mg  Mg6  1  0.282  0.897  0.687  1.0
  Mg  Mg7  1  0.782  0.103  0.813  1.0
  B  B8  1  0.846  0.169  0.560  1.0
  B  B9  1  0.346  0.831  0.940  1.0
  B  B10  1  0.154  0.831  0.440  1.0
  B  B11  1  0.654  0.169  0.060  1.0
  B  B12  1  0.274  0.357  0.159  1.0
  B  B13  1  0.774  0.643  0.341  1.0
  B  B14  1  0.726  0.643  0.841  1.0
  B  B15  1  0.226  0.357  0.659  1.0
  O  O16  1  0.802  0.495  0.863  1.0
  O  O17  1  0.302  0.505  0.637  1.0
  O  O18  1  0.198  0.505  0.137  1.0
  O  O19  1  0.698  0.495  0.363  1.0
  O  O20  1  0.275  0.259  0.762  1.0
  O  O21  1  0.775  0.741  0.738  1.0
  O  O22  1  0.725  0.741  0.238  1.0
  O  O23  1  0.225  0.259  0.262  1.0
  O  O24  1  0.778  0.180  0.953  1.0
  O  O25  1  0.278  0.820  0.547  1.0
  O  O26  1  0.222  0.820  0.047  1.0
  O  O27  1  0.722  0.180  0.453  1.0
  O  O28  1  0.284  0.947  0.848  1.0
  O  O29  1  0.784  0.053  0.652  1.0
  O  O30  1  0.716  0.053  0.152  1.0
  O  O31  1  0.216  0.947  0.348  1.0
  O  O32  1  0.425  0.300  0.069  1.0
  O  O33  1  0.925  0.700  0.431  1.0
  O  O34  1  0.575  0.700  0.931  1.0
  O  O35  1  0.075  0.300  0.569  1.0
[/CIF]
.
The material structure described by Mg2B2O5 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(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing MgO6 octahedra. In the second Mg site, Mg(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(4) atoms to form edge-sharing MgO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one B(1), and one B(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(2) atom. In the third O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and one B(2) atom to form a mixture of distorted edge and corner-sharing OMg3B tetrahedra. In the fourth O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and one B(1) atom to form a mixture of distorted edge and corner-sharing OMg3B trigonal pyramids. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg(2) and one B(1) atom. is represented by the CIF file [CIF]
data_Mg2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.106
_cell_length_b   9.181
_cell_length_c   12.326
_cell_angle_alpha   75.736
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.640
_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  0.793  0.646  0.604  1.0
  Mg  Mg1  1  0.293  0.354  0.896  1.0
  Mg  Mg2  1  0.207  0.354  0.396  1.0
  Mg  Mg3  1  0.707  0.646  0.104  1.0
  Mg  Mg4  1  0.718  0.103  0.313  1.0
  Mg  Mg5  1  0.218  0.897  0.187  1.0
  Mg  Mg6  1  0.282  0.897  0.687  1.0
  Mg  Mg7  1  0.782  0.103  0.813  1.0
  B  B8  1  0.846  0.169  0.560  1.0
  B  B9  1  0.346  0.831  0.940  1.0
  B  B10  1  0.154  0.831  0.440  1.0
  B  B11  1  0.654  0.169  0.060  1.0
  B  B12  1  0.274  0.357  0.159  1.0
  B  B13  1  0.774  0.643  0.341  1.0
  B  B14  1  0.726  0.643  0.841  1.0
  B  B15  1  0.226  0.357  0.659  1.0
  O  O16  1  0.802  0.495  0.863  1.0
  O  O17  1  0.302  0.505  0.637  1.0
  O  O18  1  0.198  0.505  0.137  1.0
  O  O19  1  0.698  0.495  0.363  1.0
  O  O20  1  0.275  0.259  0.762  1.0
  O  O21  1  0.775  0.741  0.738  1.0
  O  O22  1  0.725  0.741  0.238  1.0
  O  O23  1  0.225  0.259  0.262  1.0
  O  O24  1  0.778  0.180  0.953  1.0
  O  O25  1  0.278  0.820  0.547  1.0
  O  O26  1  0.222  0.820  0.047  1.0
  O  O27  1  0.722  0.180  0.453  1.0
  O  O28  1  0.284  0.947  0.848  1.0
  O  O29  1  0.784  0.053  0.652  1.0
  O  O30  1  0.716  0.053  0.152  1.0
  O  O31  1  0.216  0.947  0.348  1.0
  O  O32  1  0.425  0.300  0.069  1.0
  O  O33  1  0.925  0.700  0.431  1.0
  O  O34  1  0.575  0.700  0.931  1.0
  O  O35  1  0.075  0.300  0.569  1.0
[/CIF]
.