The crystal structure described by MgTiP2O7 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MgO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-53°. There are seven 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 Mg(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 3-coordinate geometry to two equivalent Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.631
_cell_length_b   7.049
_cell_length_c   9.234
_cell_angle_alpha   66.359
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.669
_cell_formula_units_Z   4
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  0.940  0.696  0.182  1.0
  Mg  Mg1  1  0.440  0.304  0.318  1.0
  Mg  Mg2  1  0.560  0.696  0.682  1.0
  Mg  Mg3  1  0.060  0.304  0.818  1.0
  Ti  Ti4  1  0.069  0.223  0.401  1.0
  Ti  Ti5  1  0.931  0.777  0.599  1.0
  Ti  Ti6  1  0.569  0.777  0.099  1.0
  Ti  Ti7  1  0.431  0.223  0.901  1.0
  P  P8  1  0.739  0.063  0.752  1.0
  P  P9  1  0.221  0.527  0.036  1.0
  P  P10  1  0.761  0.063  0.252  1.0
  P  P11  1  0.279  0.527  0.536  1.0
  P  P12  1  0.239  0.937  0.748  1.0
  P  P13  1  0.721  0.473  0.464  1.0
  P  P14  1  0.779  0.473  0.964  1.0
  P  P15  1  0.261  0.937  0.248  1.0
  O  O16  1  0.175  0.748  0.904  1.0
  O  O17  1  0.607  0.118  0.302  1.0
  O  O18  1  0.893  0.118  0.802  1.0
  O  O19  1  0.382  0.543  0.104  1.0
  O  O20  1  0.825  0.252  0.096  1.0
  O  O21  1  0.109  0.972  0.626  1.0
  O  O22  1  0.618  0.457  0.896  1.0
  O  O23  1  0.091  0.485  0.159  1.0
  O  O24  1  0.277  0.373  0.455  1.0
  O  O25  1  0.891  0.028  0.374  1.0
  O  O26  1  0.391  0.972  0.126  1.0
  O  O27  1  0.759  0.881  0.200  1.0
  O  O28  1  0.259  0.119  0.300  1.0
  O  O29  1  0.325  0.748  0.404  1.0
  O  O30  1  0.609  0.028  0.874  1.0
  O  O31  1  0.107  0.882  0.198  1.0
  O  O32  1  0.241  0.119  0.800  1.0
  O  O33  1  0.909  0.515  0.841  1.0
  O  O34  1  0.223  0.373  0.955  1.0
  O  O35  1  0.777  0.627  0.045  1.0
  O  O36  1  0.882  0.457  0.396  1.0
  O  O37  1  0.409  0.485  0.659  1.0
  O  O38  1  0.591  0.515  0.341  1.0
  O  O39  1  0.393  0.882  0.698  1.0
  O  O40  1  0.741  0.881  0.700  1.0
  O  O41  1  0.118  0.543  0.604  1.0
  O  O42  1  0.723  0.627  0.545  1.0
  O  O43  1  0.675  0.252  0.596  1.0
[/CIF]
.
The crystal structure described by MgTiP2O7 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MgO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-53°. There are seven 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 Mg(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 3-coordinate geometry to two equivalent Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.631
_cell_length_b   7.049
_cell_length_c   9.234
_cell_angle_alpha   66.359
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.669
_cell_formula_units_Z   4
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  0.940  0.696  0.182  1.0
  Mg  Mg1  1  0.440  0.304  0.318  1.0
  Mg  Mg2  1  0.560  0.696  0.682  1.0
  Mg  Mg3  1  0.060  0.304  0.818  1.0
  Ti  Ti4  1  0.069  0.223  0.401  1.0
  Ti  Ti5  1  0.931  0.777  0.599  1.0
  Ti  Ti6  1  0.569  0.777  0.099  1.0
  Ti  Ti7  1  0.431  0.223  0.901  1.0
  P  P8  1  0.739  0.063  0.752  1.0
  P  P9  1  0.221  0.527  0.036  1.0
  P  P10  1  0.761  0.063  0.252  1.0
  P  P11  1  0.279  0.527  0.536  1.0
  P  P12  1  0.239  0.937  0.748  1.0
  P  P13  1  0.721  0.473  0.464  1.0
  P  P14  1  0.779  0.473  0.964  1.0
  P  P15  1  0.261  0.937  0.248  1.0
  O  O16  1  0.175  0.748  0.904  1.0
  O  O17  1  0.607  0.118  0.302  1.0
  O  O18  1  0.893  0.118  0.802  1.0
  O  O19  1  0.382  0.543  0.104  1.0
  O  O20  1  0.825  0.252  0.096  1.0
  O  O21  1  0.109  0.972  0.626  1.0
  O  O22  1  0.618  0.457  0.896  1.0
  O  O23  1  0.091  0.485  0.159  1.0
  O  O24  1  0.277  0.373  0.455  1.0
  O  O25  1  0.891  0.028  0.374  1.0
  O  O26  1  0.391  0.972  0.126  1.0
  O  O27  1  0.759  0.881  0.200  1.0
  O  O28  1  0.259  0.119  0.300  1.0
  O  O29  1  0.325  0.748  0.404  1.0
  O  O30  1  0.609  0.028  0.874  1.0
  O  O31  1  0.107  0.882  0.198  1.0
  O  O32  1  0.241  0.119  0.800  1.0
  O  O33  1  0.909  0.515  0.841  1.0
  O  O34  1  0.223  0.373  0.955  1.0
  O  O35  1  0.777  0.627  0.045  1.0
  O  O36  1  0.882  0.457  0.396  1.0
  O  O37  1  0.409  0.485  0.659  1.0
  O  O38  1  0.591  0.515  0.341  1.0
  O  O39  1  0.393  0.882  0.698  1.0
  O  O40  1  0.741  0.881  0.700  1.0
  O  O41  1  0.118  0.543  0.604  1.0
  O  O42  1  0.723  0.627  0.545  1.0
  O  O43  1  0.675  0.252  0.596  1.0
[/CIF]
.