The structure described by MgSrB2O5 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. Mg(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form edge-sharing MgO5 square pyramids. 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(4) 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 five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one B(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Mg(1), and one B(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Mg(1), and one B(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_SrMgB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.376
_cell_length_b   6.607
_cell_length_c   12.140
_cell_angle_alpha   77.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.831
_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
  Sr  Sr0  1  0.610  0.816  0.690  1.0
  Sr  Sr1  1  0.110  0.184  0.810  1.0
  Sr  Sr2  1  0.390  0.184  0.310  1.0
  Sr  Sr3  1  0.890  0.816  0.190  1.0
  Mg  Mg4  1  0.585  0.347  0.606  1.0
  Mg  Mg5  1  0.085  0.653  0.894  1.0
  Mg  Mg6  1  0.415  0.653  0.394  1.0
  Mg  Mg7  1  0.915  0.347  0.106  1.0
  B  B8  1  0.633  0.356  0.883  1.0
  B  B9  1  0.133  0.644  0.617  1.0
  B  B10  1  0.367  0.644  0.117  1.0
  B  B11  1  0.867  0.356  0.383  1.0
  B  B12  1  0.091  0.184  0.568  1.0
  B  B13  1  0.591  0.816  0.932  1.0
  B  B14  1  0.909  0.816  0.432  1.0
  B  B15  1  0.409  0.184  0.068  1.0
  O  O16  1  0.351  0.602  0.567  1.0
  O  O17  1  0.851  0.398  0.933  1.0
  O  O18  1  0.649  0.398  0.433  1.0
  O  O19  1  0.149  0.602  0.067  1.0
  O  O20  1  0.603  0.377  0.770  1.0
  O  O21  1  0.103  0.623  0.730  1.0
  O  O22  1  0.397  0.623  0.230  1.0
  O  O23  1  0.897  0.377  0.270  1.0
  O  O24  1  0.878  0.153  0.631  1.0
  O  O25  1  0.378  0.847  0.869  1.0
  O  O26  1  0.122  0.847  0.369  1.0
  O  O27  1  0.622  0.153  0.131  1.0
  O  O28  1  0.919  0.717  0.549  1.0
  O  O29  1  0.419  0.283  0.951  1.0
  O  O30  1  0.081  0.283  0.451  1.0
  O  O31  1  0.581  0.717  0.049  1.0
  O  O32  1  0.319  0.130  0.615  1.0
  O  O33  1  0.819  0.870  0.885  1.0
  O  O34  1  0.681  0.870  0.385  1.0
  O  O35  1  0.181  0.130  0.115  1.0
[/CIF]
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The structure described by MgSrB2O5 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. Mg(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form edge-sharing MgO5 square pyramids. 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(4) 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 five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one B(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Mg(1), and one B(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Mg(1), and one B(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_SrMgB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.376
_cell_length_b   6.607
_cell_length_c   12.140
_cell_angle_alpha   77.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.831
_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
  Sr  Sr0  1  0.610  0.816  0.690  1.0
  Sr  Sr1  1  0.110  0.184  0.810  1.0
  Sr  Sr2  1  0.390  0.184  0.310  1.0
  Sr  Sr3  1  0.890  0.816  0.190  1.0
  Mg  Mg4  1  0.585  0.347  0.606  1.0
  Mg  Mg5  1  0.085  0.653  0.894  1.0
  Mg  Mg6  1  0.415  0.653  0.394  1.0
  Mg  Mg7  1  0.915  0.347  0.106  1.0
  B  B8  1  0.633  0.356  0.883  1.0
  B  B9  1  0.133  0.644  0.617  1.0
  B  B10  1  0.367  0.644  0.117  1.0
  B  B11  1  0.867  0.356  0.383  1.0
  B  B12  1  0.091  0.184  0.568  1.0
  B  B13  1  0.591  0.816  0.932  1.0
  B  B14  1  0.909  0.816  0.432  1.0
  B  B15  1  0.409  0.184  0.068  1.0
  O  O16  1  0.351  0.602  0.567  1.0
  O  O17  1  0.851  0.398  0.933  1.0
  O  O18  1  0.649  0.398  0.433  1.0
  O  O19  1  0.149  0.602  0.067  1.0
  O  O20  1  0.603  0.377  0.770  1.0
  O  O21  1  0.103  0.623  0.730  1.0
  O  O22  1  0.397  0.623  0.230  1.0
  O  O23  1  0.897  0.377  0.270  1.0
  O  O24  1  0.878  0.153  0.631  1.0
  O  O25  1  0.378  0.847  0.869  1.0
  O  O26  1  0.122  0.847  0.369  1.0
  O  O27  1  0.622  0.153  0.131  1.0
  O  O28  1  0.919  0.717  0.549  1.0
  O  O29  1  0.419  0.283  0.951  1.0
  O  O30  1  0.081  0.283  0.451  1.0
  O  O31  1  0.581  0.717  0.049  1.0
  O  O32  1  0.319  0.130  0.615  1.0
  O  O33  1  0.819  0.870  0.885  1.0
  O  O34  1  0.681  0.870  0.385  1.0
  O  O35  1  0.181  0.130  0.115  1.0
[/CIF]
.