The material described by MgBO2(OH) 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(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 59-61°. In the second Mg site, Mg(2) 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 59-61°. 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 two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one B(2), and one H(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to three equivalent Mg(2) and one B(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(1), and one H(1) atom. In the fifth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg(1) and one B(1) atom. In the sixth O site, O(2) is bonded to two equivalent Mg(2), one B(1), and one H(2) atom to form distorted corner-sharing OMg2BH trigonal pyramids. is represented by the CIF file [CIF]
data_MgBHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.493
_cell_length_b   3.176
_cell_length_c   12.688
_cell_angle_alpha   84.183
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.618
_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  0.079  0.707  0.088  1.0
  Mg  Mg1  1  0.579  0.293  0.412  1.0
  Mg  Mg2  1  0.921  0.293  0.912  1.0
  Mg  Mg3  1  0.421  0.707  0.588  1.0
  Mg  Mg4  1  0.362  0.233  0.995  1.0
  Mg  Mg5  1  0.862  0.767  0.505  1.0
  Mg  Mg6  1  0.638  0.767  0.005  1.0
  Mg  Mg7  1  0.138  0.233  0.495  1.0
  B  B8  1  0.168  0.759  0.862  1.0
  B  B9  1  0.668  0.241  0.638  1.0
  B  B10  1  0.832  0.241  0.138  1.0
  B  B11  1  0.332  0.759  0.362  1.0
  B  B12  1  0.048  0.627  0.693  1.0
  B  B13  1  0.548  0.373  0.807  1.0
  B  B14  1  0.952  0.373  0.307  1.0
  B  B15  1  0.452  0.627  0.193  1.0
  H  H16  1  0.243  0.138  0.162  1.0
  H  H17  1  0.744  0.862  0.338  1.0
  H  H18  1  0.756  0.862  0.838  1.0
  H  H19  1  0.257  0.138  0.662  1.0
  H  H20  1  0.118  0.683  0.307  1.0
  H  H21  1  0.618  0.317  0.193  1.0
  H  H22  1  0.882  0.317  0.693  1.0
  H  H23  1  0.382  0.683  0.807  1.0
  O  O24  1  0.063  0.778  0.924  1.0
  O  O25  1  0.563  0.222  0.576  1.0
  O  O26  1  0.937  0.222  0.076  1.0
  O  O27  1  0.437  0.778  0.424  1.0
  O  O28  1  0.292  0.769  0.898  1.0
  O  O29  1  0.792  0.231  0.602  1.0
  O  O30  1  0.708  0.231  0.102  1.0
  O  O31  1  0.208  0.769  0.398  1.0
  O  O32  1  0.154  0.731  0.751  1.0
  O  O33  1  0.654  0.269  0.749  1.0
  O  O34  1  0.846  0.269  0.249  1.0
  O  O35  1  0.346  0.731  0.251  1.0
  O  O36  1  0.450  0.602  0.754  1.0
  O  O37  1  0.950  0.398  0.746  1.0
  O  O38  1  0.550  0.398  0.246  1.0
  O  O39  1  0.050  0.602  0.254  1.0
  O  O40  1  0.044  0.720  0.585  1.0
  O  O41  1  0.544  0.280  0.915  1.0
  O  O42  1  0.956  0.280  0.415  1.0
  O  O43  1  0.456  0.720  0.085  1.0
  O  O44  1  0.295  0.204  0.592  1.0
  O  O45  1  0.795  0.796  0.908  1.0
  O  O46  1  0.705  0.796  0.408  1.0
  O  O47  1  0.205  0.204  0.092  1.0
[/CIF]
.
The material described by MgBO2(OH) 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(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 59-61°. In the second Mg site, Mg(2) 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 59-61°. 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 two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one B(2), and one H(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to three equivalent Mg(2) and one B(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(1), and one H(1) atom. In the fifth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg(1) and one B(1) atom. In the sixth O site, O(2) is bonded to two equivalent Mg(2), one B(1), and one H(2) atom to form distorted corner-sharing OMg2BH trigonal pyramids. is represented by the CIF file [CIF]
data_MgBHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.493
_cell_length_b   3.176
_cell_length_c   12.688
_cell_angle_alpha   84.183
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.618
_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  0.079  0.707  0.088  1.0
  Mg  Mg1  1  0.579  0.293  0.412  1.0
  Mg  Mg2  1  0.921  0.293  0.912  1.0
  Mg  Mg3  1  0.421  0.707  0.588  1.0
  Mg  Mg4  1  0.362  0.233  0.995  1.0
  Mg  Mg5  1  0.862  0.767  0.505  1.0
  Mg  Mg6  1  0.638  0.767  0.005  1.0
  Mg  Mg7  1  0.138  0.233  0.495  1.0
  B  B8  1  0.168  0.759  0.862  1.0
  B  B9  1  0.668  0.241  0.638  1.0
  B  B10  1  0.832  0.241  0.138  1.0
  B  B11  1  0.332  0.759  0.362  1.0
  B  B12  1  0.048  0.627  0.693  1.0
  B  B13  1  0.548  0.373  0.807  1.0
  B  B14  1  0.952  0.373  0.307  1.0
  B  B15  1  0.452  0.627  0.193  1.0
  H  H16  1  0.243  0.138  0.162  1.0
  H  H17  1  0.744  0.862  0.338  1.0
  H  H18  1  0.756  0.862  0.838  1.0
  H  H19  1  0.257  0.138  0.662  1.0
  H  H20  1  0.118  0.683  0.307  1.0
  H  H21  1  0.618  0.317  0.193  1.0
  H  H22  1  0.882  0.317  0.693  1.0
  H  H23  1  0.382  0.683  0.807  1.0
  O  O24  1  0.063  0.778  0.924  1.0
  O  O25  1  0.563  0.222  0.576  1.0
  O  O26  1  0.937  0.222  0.076  1.0
  O  O27  1  0.437  0.778  0.424  1.0
  O  O28  1  0.292  0.769  0.898  1.0
  O  O29  1  0.792  0.231  0.602  1.0
  O  O30  1  0.708  0.231  0.102  1.0
  O  O31  1  0.208  0.769  0.398  1.0
  O  O32  1  0.154  0.731  0.751  1.0
  O  O33  1  0.654  0.269  0.749  1.0
  O  O34  1  0.846  0.269  0.249  1.0
  O  O35  1  0.346  0.731  0.251  1.0
  O  O36  1  0.450  0.602  0.754  1.0
  O  O37  1  0.950  0.398  0.746  1.0
  O  O38  1  0.550  0.398  0.246  1.0
  O  O39  1  0.050  0.602  0.254  1.0
  O  O40  1  0.044  0.720  0.585  1.0
  O  O41  1  0.544  0.280  0.915  1.0
  O  O42  1  0.956  0.280  0.415  1.0
  O  O43  1  0.456  0.720  0.085  1.0
  O  O44  1  0.295  0.204  0.592  1.0
  O  O45  1  0.795  0.796  0.908  1.0
  O  O46  1  0.705  0.796  0.408  1.0
  O  O47  1  0.205  0.204  0.092  1.0
[/CIF]
.