The material described by Mg2BO4 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), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. In the second Mg site, Mg(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four 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 in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mg(2), and one B(1) atom. In the fourth O site, O(4) is bonded to one Mg(1) and three equivalent Mg(2) atoms to form a mixture of edge and corner-sharing OMg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2BO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.124
_cell_length_b   9.393
_cell_length_c   9.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.174
_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  0.696  0.107  1.0
  Mg  Mg1  1  0.750  0.304  0.893  1.0
  Mg  Mg2  1  0.750  0.196  0.393  1.0
  Mg  Mg3  1  0.250  0.804  0.607  1.0
  Mg  Mg4  1  0.250  0.067  0.137  1.0
  Mg  Mg5  1  0.750  0.933  0.863  1.0
  Mg  Mg6  1  0.750  0.567  0.363  1.0
  Mg  Mg7  1  0.250  0.433  0.637  1.0
  B  B8  1  0.250  0.371  0.168  1.0
  B  B9  1  0.750  0.629  0.832  1.0
  B  B10  1  0.750  0.871  0.332  1.0
  B  B11  1  0.250  0.129  0.668  1.0
  O  O12  1  0.250  0.252  0.253  1.0
  O  O13  1  0.750  0.748  0.747  1.0
  O  O14  1  0.750  0.752  0.247  1.0
  O  O15  1  0.250  0.248  0.753  1.0
  O  O16  1  0.250  0.350  0.026  1.0
  O  O17  1  0.750  0.650  0.974  1.0
  O  O18  1  0.750  0.850  0.474  1.0
  O  O19  1  0.250  0.150  0.526  1.0
  O  O20  1  0.250  0.506  0.223  1.0
  O  O21  1  0.750  0.494  0.777  1.0
  O  O22  1  0.750  0.006  0.277  1.0
  O  O23  1  0.250  0.994  0.723  1.0
  O  O24  1  0.250  0.605  0.503  1.0
  O  O25  1  0.750  0.395  0.497  1.0
  O  O26  1  0.750  0.105  0.997  1.0
  O  O27  1  0.250  0.895  0.003  1.0
[/CIF]
.
The material described by Mg2BO4 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), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. In the second Mg site, Mg(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four 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 in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mg(2), and one B(1) atom. In the fourth O site, O(4) is bonded to one Mg(1) and three equivalent Mg(2) atoms to form a mixture of edge and corner-sharing OMg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2BO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.124
_cell_length_b   9.393
_cell_length_c   9.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.174
_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  0.696  0.107  1.0
  Mg  Mg1  1  0.750  0.304  0.893  1.0
  Mg  Mg2  1  0.750  0.196  0.393  1.0
  Mg  Mg3  1  0.250  0.804  0.607  1.0
  Mg  Mg4  1  0.250  0.067  0.137  1.0
  Mg  Mg5  1  0.750  0.933  0.863  1.0
  Mg  Mg6  1  0.750  0.567  0.363  1.0
  Mg  Mg7  1  0.250  0.433  0.637  1.0
  B  B8  1  0.250  0.371  0.168  1.0
  B  B9  1  0.750  0.629  0.832  1.0
  B  B10  1  0.750  0.871  0.332  1.0
  B  B11  1  0.250  0.129  0.668  1.0
  O  O12  1  0.250  0.252  0.253  1.0
  O  O13  1  0.750  0.748  0.747  1.0
  O  O14  1  0.750  0.752  0.247  1.0
  O  O15  1  0.250  0.248  0.753  1.0
  O  O16  1  0.250  0.350  0.026  1.0
  O  O17  1  0.750  0.650  0.974  1.0
  O  O18  1  0.750  0.850  0.474  1.0
  O  O19  1  0.250  0.150  0.526  1.0
  O  O20  1  0.250  0.506  0.223  1.0
  O  O21  1  0.750  0.494  0.777  1.0
  O  O22  1  0.750  0.006  0.277  1.0
  O  O23  1  0.250  0.994  0.723  1.0
  O  O24  1  0.250  0.605  0.503  1.0
  O  O25  1  0.750  0.395  0.497  1.0
  O  O26  1  0.750  0.105  0.997  1.0
  O  O27  1  0.250  0.895  0.003  1.0
[/CIF]
.