The compound described by CsMgP(H6O5)2 crystallizes in the cubic F-43m space group. Cs(1) is bonded to twelve equivalent O(1) atoms to form distorted CsO12 cuboctahedra that share corners with twelve equivalent Cs(1)O12 cuboctahedra and faces with four equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share faces with four equivalent Cs(1)O12 cuboctahedra. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), one Mg(1), and two equivalent H(1) atoms. In the second O site, O(2) is bonded to one P(1) and three equivalent H(1) atoms to form distorted corner-sharing OPH3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMgP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.167
_cell_length_b   7.167
_cell_length_c   7.167
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   260.297
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.250  0.250  1.0
  H  H3  1  0.855  0.261  0.261  1.0
  H  H4  1  0.855  0.261  0.623  1.0
  H  H5  1  0.855  0.623  0.261  1.0
  H  H6  1  0.623  0.855  0.261  1.0
  H  H7  1  0.261  0.855  0.261  1.0
  H  H8  1  0.261  0.855  0.623  1.0
  H  H9  1  0.623  0.261  0.261  1.0
  H  H10  1  0.261  0.623  0.261  1.0
  H  H11  1  0.261  0.261  0.623  1.0
  H  H12  1  0.623  0.261  0.855  1.0
  H  H13  1  0.261  0.261  0.855  1.0
  H  H14  1  0.261  0.623  0.855  1.0
  O  O15  1  0.794  0.206  0.206  1.0
  O  O16  1  0.983  0.339  0.339  1.0
  O  O17  1  0.794  0.794  0.206  1.0
  O  O18  1  0.206  0.794  0.206  1.0
  O  O19  1  0.794  0.206  0.794  1.0
  O  O20  1  0.339  0.983  0.339  1.0
  O  O21  1  0.206  0.794  0.794  1.0
  O  O22  1  0.339  0.339  0.339  1.0
  O  O23  1  0.206  0.206  0.794  1.0
  O  O24  1  0.339  0.339  0.983  1.0
[/CIF]
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The compound described by CsMgP(H6O5)2 crystallizes in the cubic F-43m space group. Cs(1) is bonded to twelve equivalent O(1) atoms to form distorted CsO12 cuboctahedra that share corners with twelve equivalent Cs(1)O12 cuboctahedra and faces with four equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share faces with four equivalent Cs(1)O12 cuboctahedra. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), one Mg(1), and two equivalent H(1) atoms. In the second O site, O(2) is bonded to one P(1) and three equivalent H(1) atoms to form distorted corner-sharing OPH3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMgP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.167
_cell_length_b   7.167
_cell_length_c   7.167
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   260.297
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.250  0.250  1.0
  H  H3  1  0.855  0.261  0.261  1.0
  H  H4  1  0.855  0.261  0.623  1.0
  H  H5  1  0.855  0.623  0.261  1.0
  H  H6  1  0.623  0.855  0.261  1.0
  H  H7  1  0.261  0.855  0.261  1.0
  H  H8  1  0.261  0.855  0.623  1.0
  H  H9  1  0.623  0.261  0.261  1.0
  H  H10  1  0.261  0.623  0.261  1.0
  H  H11  1  0.261  0.261  0.623  1.0
  H  H12  1  0.623  0.261  0.855  1.0
  H  H13  1  0.261  0.261  0.855  1.0
  H  H14  1  0.261  0.623  0.855  1.0
  O  O15  1  0.794  0.206  0.206  1.0
  O  O16  1  0.983  0.339  0.339  1.0
  O  O17  1  0.794  0.794  0.206  1.0
  O  O18  1  0.206  0.794  0.206  1.0
  O  O19  1  0.794  0.206  0.794  1.0
  O  O20  1  0.339  0.983  0.339  1.0
  O  O21  1  0.206  0.794  0.794  1.0
  O  O22  1  0.339  0.339  0.339  1.0
  O  O23  1  0.206  0.206  0.794  1.0
  O  O24  1  0.339  0.339  0.983  1.0
[/CIF]
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