The material described by MgTiMnO4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-49°. Mn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form OMg2TiMn trigonal pyramids that share corners with five equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form distorted OMg2TiMn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, corners with five equivalent O(4)MgTi2Mn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OMgTiMn2 tetrahedra that share corners with two equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(2)Mg2TiMn trigonal pyramid,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with five equivalent O(1)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(1)Mg2TiMn trigonal pyramid, corners with two equivalent O(4)MgTi2Mn trigonal pyramids, corners with five equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   6.335
_cell_length_c   6.335
_cell_angle_alpha   147.917
_cell_angle_beta   131.260
_cell_angle_gamma   60.487
_symmetry_Int_Tables_number   1
_cell_volume   91.630
_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  0.865  0.618  0.246  1.0
  Ti  Ti1  1  0.635  0.261  0.374  1.0
  Mn  Mn2  1  0.130  0.984  0.146  1.0
  O  O3  1  0.600  0.091  0.509  1.0
  O  O4  1  0.225  0.197  0.028  1.0
  O  O5  1  0.867  0.452  0.415  1.0
  O  O6  1  0.821  0.778  0.043  1.0
[/CIF]
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The material described by MgTiMnO4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-49°. Mn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form OMg2TiMn trigonal pyramids that share corners with five equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Mn(1) atom to form distorted OMg2TiMn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra, corners with two equivalent O(1)Mg2TiMn trigonal pyramids, corners with two equivalent O(2)Mg2TiMn trigonal pyramids, corners with five equivalent O(4)MgTi2Mn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OMgTiMn2 tetrahedra that share corners with two equivalent O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(2)Mg2TiMn trigonal pyramid,  a cornercorner with one O(4)MgTi2Mn trigonal pyramid, corners with five equivalent O(1)Mg2TiMn trigonal pyramids, edges with two equivalent O(2)Mg2TiMn trigonal pyramids, and edges with two equivalent O(4)MgTi2Mn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share  a cornercorner with one O(3)MgTiMn2 tetrahedra,  a cornercorner with one O(1)Mg2TiMn trigonal pyramid, corners with two equivalent O(4)MgTi2Mn trigonal pyramids, corners with five equivalent O(2)Mg2TiMn trigonal pyramids, edges with two equivalent O(3)MgTiMn2 tetrahedra, and edges with two equivalent O(1)Mg2TiMn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   6.335
_cell_length_c   6.335
_cell_angle_alpha   147.917
_cell_angle_beta   131.260
_cell_angle_gamma   60.487
_symmetry_Int_Tables_number   1
_cell_volume   91.630
_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  0.865  0.618  0.246  1.0
  Ti  Ti1  1  0.635  0.261  0.374  1.0
  Mn  Mn2  1  0.130  0.984  0.146  1.0
  O  O3  1  0.600  0.091  0.509  1.0
  O  O4  1  0.225  0.197  0.028  1.0
  O  O5  1  0.867  0.452  0.415  1.0
  O  O6  1  0.821  0.778  0.043  1.0
[/CIF]
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