The compound described by Na3MgP2HO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one H(1), one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-44°. H(1) is bonded in a linear geometry to two equivalent Na(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Na(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3MgP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   5.188
_cell_length_c   6.774
_cell_angle_alpha   90.410
_cell_angle_beta   91.577
_cell_angle_gamma   117.280
_symmetry_Int_Tables_number   1
_cell_volume   160.521
_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
  Na  Na0  1  0.665  0.301  0.790  1.0
  Na  Na1  1  0.335  0.699  0.210  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.660  0.354  0.245  1.0
  P  P5  1  0.340  0.646  0.755  1.0
  H  H6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.786  0.216  0.102  1.0
  O  O8  1  0.214  0.784  0.898  1.0
  O  O9  1  0.787  0.680  0.211  1.0
  O  O10  1  0.213  0.320  0.789  1.0
  O  O11  1  0.756  0.315  0.460  1.0
  O  O12  1  0.244  0.685  0.540  1.0
  O  O13  1  0.674  0.795  0.771  1.0
  O  O14  1  0.326  0.205  0.229  1.0
[/CIF]
.
The compound described by Na3MgP2HO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one H(1), one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-44°. H(1) is bonded in a linear geometry to two equivalent Na(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Na(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3MgP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   5.188
_cell_length_c   6.774
_cell_angle_alpha   90.410
_cell_angle_beta   91.577
_cell_angle_gamma   117.280
_symmetry_Int_Tables_number   1
_cell_volume   160.521
_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
  Na  Na0  1  0.665  0.301  0.790  1.0
  Na  Na1  1  0.335  0.699  0.210  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.660  0.354  0.245  1.0
  P  P5  1  0.340  0.646  0.755  1.0
  H  H6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.786  0.216  0.102  1.0
  O  O8  1  0.214  0.784  0.898  1.0
  O  O9  1  0.787  0.680  0.211  1.0
  O  O10  1  0.213  0.320  0.789  1.0
  O  O11  1  0.756  0.315  0.460  1.0
  O  O12  1  0.244  0.685  0.540  1.0
  O  O13  1  0.674  0.795  0.771  1.0
  O  O14  1  0.326  0.205  0.229  1.0
[/CIF]
.