The compound described by MgTi(PO3)4 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. 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 Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-62°. 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 Ti(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-61°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third 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 fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_MgTi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.322
_cell_length_b   7.322
_cell_length_c   10.234
_cell_angle_alpha   67.005
_cell_angle_beta   67.005
_cell_angle_gamma   70.348
_symmetry_Int_Tables_number   1
_cell_volume   453.883
_cell_formula_units_Z   2
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  0.956  0.044  0.750  1.0
  Mg  Mg1  1  0.044  0.956  0.250  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.313  0.296  0.693  1.0
  P  P5  1  0.704  0.687  0.807  1.0
  P  P6  1  0.687  0.704  0.307  1.0
  P  P7  1  0.296  0.313  0.193  1.0
  P  P8  1  0.728  0.254  0.479  1.0
  P  P9  1  0.746  0.272  0.021  1.0
  P  P10  1  0.272  0.746  0.521  1.0
  P  P11  1  0.254  0.728  0.979  1.0
  O  O12  1  0.310  0.534  0.646  1.0
  O  O13  1  0.466  0.690  0.854  1.0
  O  O14  1  0.690  0.466  0.354  1.0
  O  O15  1  0.534  0.310  0.146  1.0
  O  O16  1  0.501  0.215  0.566  1.0
  O  O17  1  0.785  0.499  0.934  1.0
  O  O18  1  0.499  0.785  0.434  1.0
  O  O19  1  0.215  0.501  0.066  1.0
  O  O20  1  0.349  0.201  0.841  1.0
  O  O21  1  0.799  0.651  0.659  1.0
  O  O22  1  0.651  0.799  0.159  1.0
  O  O23  1  0.201  0.349  0.341  1.0
  O  O24  1  0.124  0.272  0.680  1.0
  O  O25  1  0.728  0.876  0.820  1.0
  O  O26  1  0.876  0.728  0.320  1.0
  O  O27  1  0.272  0.124  0.180  1.0
  O  O28  1  0.813  0.277  0.585  1.0
  O  O29  1  0.723  0.187  0.915  1.0
  O  O30  1  0.187  0.723  0.415  1.0
  O  O31  1  0.277  0.813  0.085  1.0
  O  O32  1  0.843  0.097  0.403  1.0
  O  O33  1  0.903  0.157  0.097  1.0
  O  O34  1  0.157  0.903  0.597  1.0
  O  O35  1  0.097  0.843  0.903  1.0
[/CIF]
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The compound described by MgTi(PO3)4 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. 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 Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-62°. 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 Ti(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-61°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third 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 fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_MgTi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.322
_cell_length_b   7.322
_cell_length_c   10.234
_cell_angle_alpha   67.005
_cell_angle_beta   67.005
_cell_angle_gamma   70.348
_symmetry_Int_Tables_number   1
_cell_volume   453.883
_cell_formula_units_Z   2
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  0.956  0.044  0.750  1.0
  Mg  Mg1  1  0.044  0.956  0.250  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.313  0.296  0.693  1.0
  P  P5  1  0.704  0.687  0.807  1.0
  P  P6  1  0.687  0.704  0.307  1.0
  P  P7  1  0.296  0.313  0.193  1.0
  P  P8  1  0.728  0.254  0.479  1.0
  P  P9  1  0.746  0.272  0.021  1.0
  P  P10  1  0.272  0.746  0.521  1.0
  P  P11  1  0.254  0.728  0.979  1.0
  O  O12  1  0.310  0.534  0.646  1.0
  O  O13  1  0.466  0.690  0.854  1.0
  O  O14  1  0.690  0.466  0.354  1.0
  O  O15  1  0.534  0.310  0.146  1.0
  O  O16  1  0.501  0.215  0.566  1.0
  O  O17  1  0.785  0.499  0.934  1.0
  O  O18  1  0.499  0.785  0.434  1.0
  O  O19  1  0.215  0.501  0.066  1.0
  O  O20  1  0.349  0.201  0.841  1.0
  O  O21  1  0.799  0.651  0.659  1.0
  O  O22  1  0.651  0.799  0.159  1.0
  O  O23  1  0.201  0.349  0.341  1.0
  O  O24  1  0.124  0.272  0.680  1.0
  O  O25  1  0.728  0.876  0.820  1.0
  O  O26  1  0.876  0.728  0.320  1.0
  O  O27  1  0.272  0.124  0.180  1.0
  O  O28  1  0.813  0.277  0.585  1.0
  O  O29  1  0.723  0.187  0.915  1.0
  O  O30  1  0.187  0.723  0.415  1.0
  O  O31  1  0.277  0.813  0.085  1.0
  O  O32  1  0.843  0.097  0.403  1.0
  O  O33  1  0.903  0.157  0.097  1.0
  O  O34  1  0.157  0.903  0.597  1.0
  O  O35  1  0.097  0.843  0.903  1.0
[/CIF]
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