The material structure described by MgTiMn(PO4)3 crystallizes in the trigonal R3c space group. Mg(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. 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 two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) 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 Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiMn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.543
_cell_length_b   8.543
_cell_length_c   8.543
_cell_angle_alpha   60.721
_cell_angle_beta   60.721
_cell_angle_gamma   60.721
_symmetry_Int_Tables_number   1
_cell_volume   448.003
_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  0.002  0.002  0.002  1.0
  Mg  Mg1  1  0.502  0.502  0.502  1.0
  Ti  Ti2  1  0.856  0.856  0.856  1.0
  Ti  Ti3  1  0.356  0.356  0.356  1.0
  Mn  Mn4  1  0.643  0.643  0.643  1.0
  Mn  Mn5  1  0.143  0.143  0.143  1.0
  P  P6  1  0.249  0.955  0.544  1.0
  P  P7  1  0.955  0.544  0.249  1.0
  P  P8  1  0.544  0.249  0.955  1.0
  P  P9  1  0.455  0.749  0.044  1.0
  P  P10  1  0.044  0.455  0.749  1.0
  P  P11  1  0.749  0.044  0.455  1.0
  O  O12  1  0.685  0.889  0.491  1.0
  O  O13  1  0.491  0.685  0.889  1.0
  O  O14  1  0.088  0.947  0.742  1.0
  O  O15  1  0.889  0.491  0.685  1.0
  O  O16  1  0.185  0.991  0.389  1.0
  O  O17  1  0.408  0.759  0.561  1.0
  O  O18  1  0.947  0.742  0.088  1.0
  O  O19  1  0.759  0.561  0.408  1.0
  O  O20  1  0.619  0.815  0.997  1.0
  O  O21  1  0.561  0.408  0.759  1.0
  O  O22  1  0.259  0.908  0.061  1.0
  O  O23  1  0.997  0.619  0.815  1.0
  O  O24  1  0.991  0.389  0.185  1.0
  O  O25  1  0.742  0.088  0.947  1.0
  O  O26  1  0.447  0.588  0.242  1.0
  O  O27  1  0.389  0.185  0.991  1.0
  O  O28  1  0.242  0.447  0.588  1.0
  O  O29  1  0.061  0.259  0.908  1.0
  O  O30  1  0.588  0.242  0.447  1.0
  O  O31  1  0.815  0.997  0.619  1.0
  O  O32  1  0.119  0.497  0.315  1.0
  O  O33  1  0.908  0.061  0.259  1.0
  O  O34  1  0.497  0.315  0.119  1.0
  O  O35  1  0.315  0.119  0.497  1.0
[/CIF]
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The material structure described by MgTiMn(PO4)3 crystallizes in the trigonal R3c space group. Mg(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. 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 two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) 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 Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiMn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.543
_cell_length_b   8.543
_cell_length_c   8.543
_cell_angle_alpha   60.721
_cell_angle_beta   60.721
_cell_angle_gamma   60.721
_symmetry_Int_Tables_number   1
_cell_volume   448.003
_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  0.002  0.002  0.002  1.0
  Mg  Mg1  1  0.502  0.502  0.502  1.0
  Ti  Ti2  1  0.856  0.856  0.856  1.0
  Ti  Ti3  1  0.356  0.356  0.356  1.0
  Mn  Mn4  1  0.643  0.643  0.643  1.0
  Mn  Mn5  1  0.143  0.143  0.143  1.0
  P  P6  1  0.249  0.955  0.544  1.0
  P  P7  1  0.955  0.544  0.249  1.0
  P  P8  1  0.544  0.249  0.955  1.0
  P  P9  1  0.455  0.749  0.044  1.0
  P  P10  1  0.044  0.455  0.749  1.0
  P  P11  1  0.749  0.044  0.455  1.0
  O  O12  1  0.685  0.889  0.491  1.0
  O  O13  1  0.491  0.685  0.889  1.0
  O  O14  1  0.088  0.947  0.742  1.0
  O  O15  1  0.889  0.491  0.685  1.0
  O  O16  1  0.185  0.991  0.389  1.0
  O  O17  1  0.408  0.759  0.561  1.0
  O  O18  1  0.947  0.742  0.088  1.0
  O  O19  1  0.759  0.561  0.408  1.0
  O  O20  1  0.619  0.815  0.997  1.0
  O  O21  1  0.561  0.408  0.759  1.0
  O  O22  1  0.259  0.908  0.061  1.0
  O  O23  1  0.997  0.619  0.815  1.0
  O  O24  1  0.991  0.389  0.185  1.0
  O  O25  1  0.742  0.088  0.947  1.0
  O  O26  1  0.447  0.588  0.242  1.0
  O  O27  1  0.389  0.185  0.991  1.0
  O  O28  1  0.242  0.447  0.588  1.0
  O  O29  1  0.061  0.259  0.908  1.0
  O  O30  1  0.588  0.242  0.447  1.0
  O  O31  1  0.815  0.997  0.619  1.0
  O  O32  1  0.119  0.497  0.315  1.0
  O  O33  1  0.908  0.061  0.259  1.0
  O  O34  1  0.497  0.315  0.119  1.0
  O  O35  1  0.315  0.119  0.497  1.0
[/CIF]
.