The material structure described by MgSi(HO)6 crystallizes in the monoclinic P2_1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. Si(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(6) atom. is represented by the CIF file [CIF]
data_MgSi(HO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   5.162
_cell_length_c   7.364
_cell_angle_alpha   89.917
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.756
_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  0.008  0.753  0.251  1.0
  Mg  Mg1  1  0.508  0.247  0.749  1.0
  Si  Si2  1  0.508  0.252  0.249  1.0
  Si  Si3  1  0.008  0.748  0.751  1.0
  H  H4  1  0.301  0.458  0.490  1.0
  H  H5  1  0.801  0.542  0.510  1.0
  H  H6  1  0.201  0.965  0.986  1.0
  H  H7  1  0.701  0.035  0.014  1.0
  H  H8  1  0.045  0.304  0.774  1.0
  H  H9  1  0.545  0.696  0.226  1.0
  H  H10  1  0.454  0.774  0.731  1.0
  H  H11  1  0.954  0.226  0.269  1.0
  H  H12  1  0.352  0.934  0.447  1.0
  H  H13  1  0.852  0.066  0.553  1.0
  H  H14  1  0.192  0.412  0.051  1.0
  H  H15  1  0.692  0.588  0.949  1.0
  O  O16  1  0.467  0.367  0.479  1.0
  O  O17  1  0.967  0.633  0.521  1.0
  O  O18  1  0.038  0.867  0.980  1.0
  O  O19  1  0.538  0.133  0.020  1.0
  O  O20  1  0.311  0.891  0.691  1.0
  O  O21  1  0.811  0.109  0.309  1.0
  O  O22  1  0.169  0.442  0.812  1.0
  O  O23  1  0.669  0.558  0.188  1.0
  O  O24  1  0.349  0.949  0.312  1.0
  O  O25  1  0.849  0.051  0.688  1.0
  O  O26  1  0.206  0.402  0.187  1.0
  O  O27  1  0.706  0.598  0.813  1.0
[/CIF]
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The material structure described by MgSi(HO)6 crystallizes in the monoclinic P2_1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. Si(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mg(1), one Si(1), and one H(6) atom. is represented by the CIF file [CIF]
data_MgSi(HO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   5.162
_cell_length_c   7.364
_cell_angle_alpha   89.917
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.756
_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  0.008  0.753  0.251  1.0
  Mg  Mg1  1  0.508  0.247  0.749  1.0
  Si  Si2  1  0.508  0.252  0.249  1.0
  Si  Si3  1  0.008  0.748  0.751  1.0
  H  H4  1  0.301  0.458  0.490  1.0
  H  H5  1  0.801  0.542  0.510  1.0
  H  H6  1  0.201  0.965  0.986  1.0
  H  H7  1  0.701  0.035  0.014  1.0
  H  H8  1  0.045  0.304  0.774  1.0
  H  H9  1  0.545  0.696  0.226  1.0
  H  H10  1  0.454  0.774  0.731  1.0
  H  H11  1  0.954  0.226  0.269  1.0
  H  H12  1  0.352  0.934  0.447  1.0
  H  H13  1  0.852  0.066  0.553  1.0
  H  H14  1  0.192  0.412  0.051  1.0
  H  H15  1  0.692  0.588  0.949  1.0
  O  O16  1  0.467  0.367  0.479  1.0
  O  O17  1  0.967  0.633  0.521  1.0
  O  O18  1  0.038  0.867  0.980  1.0
  O  O19  1  0.538  0.133  0.020  1.0
  O  O20  1  0.311  0.891  0.691  1.0
  O  O21  1  0.811  0.109  0.309  1.0
  O  O22  1  0.169  0.442  0.812  1.0
  O  O23  1  0.669  0.558  0.188  1.0
  O  O24  1  0.349  0.949  0.312  1.0
  O  O25  1  0.849  0.051  0.688  1.0
  O  O26  1  0.206  0.402  0.187  1.0
  O  O27  1  0.706  0.598  0.813  1.0
[/CIF]
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