The structure described by MgO6HPO3 crystallizes in the triclinic P1 space group. The structure consists of one phosphonic acid molecule inside a MgO6 framework. In the MgO6 framework, Mg(1) is bonded in an octahedral geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(8) atom. In the second O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one O(9) atom. In the third O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the fourth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(6) atom. In the fifth O site, O(8) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(4) atom. In the sixth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgPHO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.383
_cell_length_c   5.470
_cell_angle_alpha   92.100
_cell_angle_beta   92.562
_cell_angle_gamma   92.652
_symmetry_Int_Tables_number   1
_cell_volume   156.726
_cell_formula_units_Z   1
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  0.980  0.983  0.982  1.0
  P  P1  1  0.523  0.520  0.520  1.0
  H  H2  1  0.361  0.363  0.365  1.0
  O  O3  1  0.456  0.790  0.482  1.0
  O  O4  1  0.483  0.453  0.786  1.0
  O  O5  1  0.794  0.476  0.454  1.0
  O  O6  1  0.039  0.392  0.955  1.0
  O  O7  1  0.959  0.040  0.389  1.0
  O  O8  1  0.389  0.958  0.041  1.0
  O  O9  1  0.572  0.028  0.913  1.0
  O  O10  1  0.915  0.572  0.033  1.0
  O  O11  1  0.021  0.918  0.572  1.0
[/CIF]
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The structure described by MgO6HPO3 crystallizes in the triclinic P1 space group. The structure consists of one phosphonic acid molecule inside a MgO6 framework. In the MgO6 framework, Mg(1) is bonded in an octahedral geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(8) atom. In the second O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one O(9) atom. In the third O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the fourth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(6) atom. In the fifth O site, O(8) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(4) atom. In the sixth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgPHO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.383
_cell_length_c   5.470
_cell_angle_alpha   92.100
_cell_angle_beta   92.562
_cell_angle_gamma   92.652
_symmetry_Int_Tables_number   1
_cell_volume   156.726
_cell_formula_units_Z   1
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  0.980  0.983  0.982  1.0
  P  P1  1  0.523  0.520  0.520  1.0
  H  H2  1  0.361  0.363  0.365  1.0
  O  O3  1  0.456  0.790  0.482  1.0
  O  O4  1  0.483  0.453  0.786  1.0
  O  O5  1  0.794  0.476  0.454  1.0
  O  O6  1  0.039  0.392  0.955  1.0
  O  O7  1  0.959  0.040  0.389  1.0
  O  O8  1  0.389  0.958  0.041  1.0
  O  O9  1  0.572  0.028  0.913  1.0
  O  O10  1  0.915  0.572  0.033  1.0
  O  O11  1  0.021  0.918  0.572  1.0
[/CIF]
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