The structure described by MgPH13O9 crystallizes in the trigonal R3 space group. Mg(1) is bonded in an octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. P(1) is bonded in a distorted tetrahedral geometry to one H(1) and three equivalent O(1) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(2) 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(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one P(1), one H(2), one H(3), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mg(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(4), and one H(5) atom. is represented by the CIF card [CIF]
data_MgPH13O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   5.987
_cell_length_c   5.987
_cell_angle_alpha   95.921
_cell_angle_beta   95.921
_cell_angle_gamma   95.921
_symmetry_Int_Tables_number   1
_cell_volume   210.946
_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  0.979  0.979  0.979  1.0
  P  P1  1  0.502  0.502  0.502  1.0
  H  H2  1  0.349  0.349  0.349  1.0
  H  H3  1  0.612  0.797  0.184  1.0
  H  H4  1  0.184  0.612  0.797  1.0
  H  H5  1  0.797  0.184  0.612  1.0
  H  H6  1  0.575  0.706  0.923  1.0
  H  H7  1  0.923  0.575  0.706  1.0
  H  H8  1  0.706  0.923  0.575  1.0
  H  H9  1  0.954  0.434  0.036  1.0
  H  H10  1  0.036  0.954  0.434  1.0
  H  H11  1  0.434  0.036  0.954  1.0
  H  H12  1  0.844  0.346  0.249  1.0
  H  H13  1  0.249  0.844  0.346  1.0
  H  H14  1  0.346  0.249  0.844  1.0
  O  O15  1  0.418  0.501  0.738  1.0
  O  O16  1  0.738  0.418  0.501  1.0
  O  O17  1  0.501  0.738  0.418  1.0
  O  O18  1  0.649  0.838  0.032  1.0
  O  O19  1  0.032  0.649  0.838  1.0
  O  O20  1  0.838  0.032  0.649  1.0
  O  O21  1  0.908  0.297  0.107  1.0
  O  O22  1  0.107  0.908  0.297  1.0
  O  O23  1  0.297  0.107  0.908  1.0
[/CIF]
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The structure described by MgPH13O9 crystallizes in the trigonal R3 space group. Mg(1) is bonded in an octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. P(1) is bonded in a distorted tetrahedral geometry to one H(1) and three equivalent O(1) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(2) 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(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one P(1), one H(2), one H(3), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mg(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(4), and one H(5) atom. is represented by the CIF card [CIF]
data_MgPH13O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   5.987
_cell_length_c   5.987
_cell_angle_alpha   95.921
_cell_angle_beta   95.921
_cell_angle_gamma   95.921
_symmetry_Int_Tables_number   1
_cell_volume   210.946
_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  0.979  0.979  0.979  1.0
  P  P1  1  0.502  0.502  0.502  1.0
  H  H2  1  0.349  0.349  0.349  1.0
  H  H3  1  0.612  0.797  0.184  1.0
  H  H4  1  0.184  0.612  0.797  1.0
  H  H5  1  0.797  0.184  0.612  1.0
  H  H6  1  0.575  0.706  0.923  1.0
  H  H7  1  0.923  0.575  0.706  1.0
  H  H8  1  0.706  0.923  0.575  1.0
  H  H9  1  0.954  0.434  0.036  1.0
  H  H10  1  0.036  0.954  0.434  1.0
  H  H11  1  0.434  0.036  0.954  1.0
  H  H12  1  0.844  0.346  0.249  1.0
  H  H13  1  0.249  0.844  0.346  1.0
  H  H14  1  0.346  0.249  0.844  1.0
  O  O15  1  0.418  0.501  0.738  1.0
  O  O16  1  0.738  0.418  0.501  1.0
  O  O17  1  0.501  0.738  0.418  1.0
  O  O18  1  0.649  0.838  0.032  1.0
  O  O19  1  0.032  0.649  0.838  1.0
  O  O20  1  0.838  0.032  0.649  1.0
  O  O21  1  0.908  0.297  0.107  1.0
  O  O22  1  0.107  0.908  0.297  1.0
  O  O23  1  0.297  0.107  0.908  1.0
[/CIF]
.