The material structure described by MgH10(SeO5)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in an octahedral geometry to one O(1), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. Se(1) is bonded in a distorted trigonal non-coplanar 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 in a trigonal planar geometry to one Mg(1), one H(5), and one Se(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(4) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(3) atoms. In the fourth O site, O(2) is bonded in a water-like geometry to one H(1) and one H(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one H(5) and one Se(1) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one H(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_MgH10(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   8.331
_cell_length_c   11.199
_cell_angle_alpha   57.030
_cell_angle_beta   57.030
_cell_angle_gamma   54.644
_symmetry_Int_Tables_number   1
_cell_volume   501.021
_cell_formula_units_Z   2
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  0.965  0.035  0.250  1.0
  Mg  Mg1  1  0.035  0.965  0.750  1.0
  H  H2  1  0.398  0.256  0.056  1.0
  H  H3  1  0.744  0.602  0.444  1.0
  H  H4  1  0.602  0.744  0.944  1.0
  H  H5  1  0.256  0.398  0.556  1.0
  H  H6  1  0.286  0.258  0.976  1.0
  H  H7  1  0.742  0.714  0.524  1.0
  H  H8  1  0.320  0.561  0.833  1.0
  H  H9  1  0.439  0.680  0.667  1.0
  H  H10  1  0.680  0.439  0.167  1.0
  H  H11  1  0.561  0.320  0.333  1.0
  H  H12  1  0.627  0.249  0.831  1.0
  H  H13  1  0.751  0.373  0.669  1.0
  H  H14  1  0.373  0.751  0.169  1.0
  H  H15  1  0.249  0.627  0.331  1.0
  H  H16  1  0.948  0.412  0.278  1.0
  H  H17  1  0.588  0.052  0.222  1.0
  H  H18  1  0.052  0.588  0.722  1.0
  H  H19  1  0.412  0.948  0.778  1.0
  H  H20  1  0.714  0.742  0.024  1.0
  H  H21  1  0.258  0.286  0.476  1.0
  Se  Se22  1  0.009  0.265  0.885  1.0
  Se  Se23  1  0.735  0.991  0.615  1.0
  Se  Se24  1  0.265  0.009  0.385  1.0
  Se  Se25  1  0.991  0.735  0.115  1.0
  O  O26  1  0.698  0.302  0.250  1.0
  O  O27  1  0.302  0.698  0.750  1.0
  O  O28  1  0.311  0.382  0.457  1.0
  O  O29  1  0.618  0.689  0.043  1.0
  O  O30  1  0.689  0.618  0.543  1.0
  O  O31  1  0.382  0.311  0.957  1.0
  O  O32  1  0.856  0.565  0.270  1.0
  O  O33  1  0.435  0.144  0.230  1.0
  O  O34  1  0.144  0.435  0.730  1.0
  O  O35  1  0.565  0.856  0.770  1.0
  O  O36  1  0.891  0.821  0.982  1.0
  O  O37  1  0.179  0.109  0.518  1.0
  O  O38  1  0.109  0.179  0.018  1.0
  O  O39  1  0.821  0.891  0.482  1.0
  O  O40  1  0.933  0.843  0.688  1.0
  O  O41  1  0.157  0.067  0.812  1.0
  O  O42  1  0.067  0.157  0.312  1.0
  O  O43  1  0.843  0.933  0.188  1.0
  O  O44  1  0.767  0.233  0.750  1.0
  O  O45  1  0.233  0.767  0.250  1.0
[/CIF]
.
The material structure described by MgH10(SeO5)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in an octahedral geometry to one O(1), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. Se(1) is bonded in a distorted trigonal non-coplanar 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 in a trigonal planar geometry to one Mg(1), one H(5), and one Se(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(4) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(3) atoms. In the fourth O site, O(2) is bonded in a water-like geometry to one H(1) and one H(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one H(5) and one Se(1) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one H(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_MgH10(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   8.331
_cell_length_c   11.199
_cell_angle_alpha   57.030
_cell_angle_beta   57.030
_cell_angle_gamma   54.644
_symmetry_Int_Tables_number   1
_cell_volume   501.021
_cell_formula_units_Z   2
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  0.965  0.035  0.250  1.0
  Mg  Mg1  1  0.035  0.965  0.750  1.0
  H  H2  1  0.398  0.256  0.056  1.0
  H  H3  1  0.744  0.602  0.444  1.0
  H  H4  1  0.602  0.744  0.944  1.0
  H  H5  1  0.256  0.398  0.556  1.0
  H  H6  1  0.286  0.258  0.976  1.0
  H  H7  1  0.742  0.714  0.524  1.0
  H  H8  1  0.320  0.561  0.833  1.0
  H  H9  1  0.439  0.680  0.667  1.0
  H  H10  1  0.680  0.439  0.167  1.0
  H  H11  1  0.561  0.320  0.333  1.0
  H  H12  1  0.627  0.249  0.831  1.0
  H  H13  1  0.751  0.373  0.669  1.0
  H  H14  1  0.373  0.751  0.169  1.0
  H  H15  1  0.249  0.627  0.331  1.0
  H  H16  1  0.948  0.412  0.278  1.0
  H  H17  1  0.588  0.052  0.222  1.0
  H  H18  1  0.052  0.588  0.722  1.0
  H  H19  1  0.412  0.948  0.778  1.0
  H  H20  1  0.714  0.742  0.024  1.0
  H  H21  1  0.258  0.286  0.476  1.0
  Se  Se22  1  0.009  0.265  0.885  1.0
  Se  Se23  1  0.735  0.991  0.615  1.0
  Se  Se24  1  0.265  0.009  0.385  1.0
  Se  Se25  1  0.991  0.735  0.115  1.0
  O  O26  1  0.698  0.302  0.250  1.0
  O  O27  1  0.302  0.698  0.750  1.0
  O  O28  1  0.311  0.382  0.457  1.0
  O  O29  1  0.618  0.689  0.043  1.0
  O  O30  1  0.689  0.618  0.543  1.0
  O  O31  1  0.382  0.311  0.957  1.0
  O  O32  1  0.856  0.565  0.270  1.0
  O  O33  1  0.435  0.144  0.230  1.0
  O  O34  1  0.144  0.435  0.730  1.0
  O  O35  1  0.565  0.856  0.770  1.0
  O  O36  1  0.891  0.821  0.982  1.0
  O  O37  1  0.179  0.109  0.518  1.0
  O  O38  1  0.109  0.179  0.018  1.0
  O  O39  1  0.821  0.891  0.482  1.0
  O  O40  1  0.933  0.843  0.688  1.0
  O  O41  1  0.157  0.067  0.812  1.0
  O  O42  1  0.067  0.157  0.312  1.0
  O  O43  1  0.843  0.933  0.188  1.0
  O  O44  1  0.767  0.233  0.750  1.0
  O  O45  1  0.233  0.767  0.250  1.0
[/CIF]
.