The material described by MgTi2P2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-63°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-63°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-50°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Ti(1), one Ti(2), and one H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.480
_cell_length_b   7.354
_cell_length_c   5.270
_cell_angle_alpha   109.300
_cell_angle_beta   95.477
_cell_angle_gamma   108.034
_symmetry_Int_Tables_number   1
_cell_volume   185.917
_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  0.415  0.734  0.746  1.0
  Ti  Ti1  1  0.015  0.477  0.004  1.0
  Ti  Ti2  1  0.034  0.026  0.008  1.0
  P  P3  1  0.396  0.248  0.658  1.0
  P  P4  1  0.662  0.751  0.327  1.0
  H  H5  1  0.815  0.270  0.302  1.0
  H  H6  1  0.950  0.657  0.675  1.0
  O  O7  1  0.076  0.729  0.856  1.0
  O  O8  1  0.288  0.429  0.748  1.0
  O  O9  1  0.364  0.636  0.315  1.0
  O  O10  1  0.264  0.098  0.359  1.0
  O  O11  1  0.332  0.122  0.845  1.0
  O  O12  1  0.682  0.858  0.116  1.0
  O  O13  1  0.751  0.903  0.635  1.0
  O  O14  1  0.697  0.340  0.684  1.0
  O  O15  1  0.820  0.608  0.280  1.0
  O  O16  1  0.914  0.258  0.155  1.0
[/CIF]
.
The material described by MgTi2P2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-63°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-63°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-50°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Ti(1), one Ti(2), and one H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.480
_cell_length_b   7.354
_cell_length_c   5.270
_cell_angle_alpha   109.300
_cell_angle_beta   95.477
_cell_angle_gamma   108.034
_symmetry_Int_Tables_number   1
_cell_volume   185.917
_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  0.415  0.734  0.746  1.0
  Ti  Ti1  1  0.015  0.477  0.004  1.0
  Ti  Ti2  1  0.034  0.026  0.008  1.0
  P  P3  1  0.396  0.248  0.658  1.0
  P  P4  1  0.662  0.751  0.327  1.0
  H  H5  1  0.815  0.270  0.302  1.0
  H  H6  1  0.950  0.657  0.675  1.0
  O  O7  1  0.076  0.729  0.856  1.0
  O  O8  1  0.288  0.429  0.748  1.0
  O  O9  1  0.364  0.636  0.315  1.0
  O  O10  1  0.264  0.098  0.359  1.0
  O  O11  1  0.332  0.122  0.845  1.0
  O  O12  1  0.682  0.858  0.116  1.0
  O  O13  1  0.751  0.903  0.635  1.0
  O  O14  1  0.697  0.340  0.684  1.0
  O  O15  1  0.820  0.608  0.280  1.0
  O  O16  1  0.914  0.258  0.155  1.0
[/CIF]
.