The crystal structure described by MgZn2P4(H2O3)6(H2O)2 crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a MgZn2P4(H2O3)6 framework. In the MgZn2P4(H2O3)6 framework, Mg(1) is bonded in a linear geometry to two equivalent O(9) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-41°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) and one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zn(1), one P(2), and one H(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(2), one H(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mg(1), one Zn(2), one H(5), and one H(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2P4(H4O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.075
_cell_length_b   7.449
_cell_length_c   9.311
_cell_angle_alpha   105.175
_cell_angle_beta   103.905
_cell_angle_gamma   97.804
_symmetry_Int_Tables_number   1
_cell_volume   449.270
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.000  0.500  0.500  1.0
  P  P3  1  0.246  0.632  0.913  1.0
  P  P4  1  0.754  0.368  0.087  1.0
  P  P5  1  0.358  0.423  0.148  1.0
  P  P6  1  0.642  0.577  0.852  1.0
  H  H7  1  0.087  0.198  0.826  1.0
  H  H8  1  0.913  0.802  0.174  1.0
  H  H9  1  0.223  0.045  0.812  1.0
  H  H10  1  0.777  0.955  0.188  1.0
  H  H11  1  0.327  0.813  0.593  1.0
  H  H12  1  0.673  0.187  0.407  1.0
  H  H13  1  0.311  0.677  0.422  1.0
  H  H14  1  0.689  0.323  0.578  1.0
  H  H15  1  0.211  0.284  0.356  1.0
  H  H16  1  0.789  0.716  0.644  1.0
  H  H17  1  0.312  0.346  0.543  1.0
  H  H18  1  0.688  0.654  0.457  1.0
  H  H19  1  0.453  0.129  0.715  1.0
  H  H20  1  0.547  0.871  0.285  1.0
  H  H21  1  0.561  0.042  0.837  1.0
  H  H22  1  0.439  0.958  0.163  1.0
  O  O23  1  0.219  0.473  0.003  1.0
  O  O24  1  0.781  0.527  0.997  1.0
  O  O25  1  0.483  0.667  0.931  1.0
  O  O26  1  0.517  0.333  0.069  1.0
  O  O27  1  0.217  0.819  0.009  1.0
  O  O28  1  0.783  0.181  0.991  1.0
  O  O29  1  0.123  0.542  0.749  1.0
  O  O30  1  0.877  0.458  0.251  1.0
  O  O31  1  0.455  0.599  0.285  1.0
  O  O32  1  0.545  0.401  0.715  1.0
  O  O33  1  0.231  0.259  0.172  1.0
  O  O34  1  0.769  0.741  0.828  1.0
  O  O35  1  0.087  0.065  0.822  1.0
  O  O36  1  0.913  0.935  0.178  1.0
  O  O37  1  0.236  0.713  0.499  1.0
  O  O38  1  0.764  0.287  0.501  1.0
  O  O39  1  0.183  0.303  0.459  1.0
  O  O40  1  0.817  0.697  0.541  1.0
  O  O41  1  0.435  0.018  0.753  1.0
  O  O42  1  0.565  0.982  0.247  1.0
[/CIF]
.
The crystal structure described by MgZn2P4(H2O3)6(H2O)2 crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a MgZn2P4(H2O3)6 framework. In the MgZn2P4(H2O3)6 framework, Mg(1) is bonded in a linear geometry to two equivalent O(9) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-41°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) and one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zn(1), one P(2), and one H(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(2), one H(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mg(1), one Zn(2), one H(5), and one H(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2P4(H4O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.075
_cell_length_b   7.449
_cell_length_c   9.311
_cell_angle_alpha   105.175
_cell_angle_beta   103.905
_cell_angle_gamma   97.804
_symmetry_Int_Tables_number   1
_cell_volume   449.270
_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  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.000  0.500  0.500  1.0
  P  P3  1  0.246  0.632  0.913  1.0
  P  P4  1  0.754  0.368  0.087  1.0
  P  P5  1  0.358  0.423  0.148  1.0
  P  P6  1  0.642  0.577  0.852  1.0
  H  H7  1  0.087  0.198  0.826  1.0
  H  H8  1  0.913  0.802  0.174  1.0
  H  H9  1  0.223  0.045  0.812  1.0
  H  H10  1  0.777  0.955  0.188  1.0
  H  H11  1  0.327  0.813  0.593  1.0
  H  H12  1  0.673  0.187  0.407  1.0
  H  H13  1  0.311  0.677  0.422  1.0
  H  H14  1  0.689  0.323  0.578  1.0
  H  H15  1  0.211  0.284  0.356  1.0
  H  H16  1  0.789  0.716  0.644  1.0
  H  H17  1  0.312  0.346  0.543  1.0
  H  H18  1  0.688  0.654  0.457  1.0
  H  H19  1  0.453  0.129  0.715  1.0
  H  H20  1  0.547  0.871  0.285  1.0
  H  H21  1  0.561  0.042  0.837  1.0
  H  H22  1  0.439  0.958  0.163  1.0
  O  O23  1  0.219  0.473  0.003  1.0
  O  O24  1  0.781  0.527  0.997  1.0
  O  O25  1  0.483  0.667  0.931  1.0
  O  O26  1  0.517  0.333  0.069  1.0
  O  O27  1  0.217  0.819  0.009  1.0
  O  O28  1  0.783  0.181  0.991  1.0
  O  O29  1  0.123  0.542  0.749  1.0
  O  O30  1  0.877  0.458  0.251  1.0
  O  O31  1  0.455  0.599  0.285  1.0
  O  O32  1  0.545  0.401  0.715  1.0
  O  O33  1  0.231  0.259  0.172  1.0
  O  O34  1  0.769  0.741  0.828  1.0
  O  O35  1  0.087  0.065  0.822  1.0
  O  O36  1  0.913  0.935  0.178  1.0
  O  O37  1  0.236  0.713  0.499  1.0
  O  O38  1  0.764  0.287  0.501  1.0
  O  O39  1  0.183  0.303  0.459  1.0
  O  O40  1  0.817  0.697  0.541  1.0
  O  O41  1  0.435  0.018  0.753  1.0
  O  O42  1  0.565  0.982  0.247  1.0
[/CIF]
.