The compound described by MgTiCrO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. Cr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OMg2TiCr2 square pyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Cr(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OMg2TiCr2 square pyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   5.210
_cell_angle_alpha   133.039
_cell_angle_beta   132.499
_cell_angle_gamma   69.018
_symmetry_Int_Tables_number   1
_cell_volume   74.787
_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  0.485  0.485  0.000  1.0
  Ti  Ti1  1  0.738  0.238  0.500  1.0
  Cr  Cr2  1  0.990  0.990  0.000  1.0
  O  O3  1  0.511  0.011  0.500  1.0
  O  O4  1  0.235  0.235  0.000  1.0
  O  O5  1  0.966  0.466  0.500  1.0
  O  O6  1  0.743  0.743  0.000  1.0
[/CIF]
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The compound described by MgTiCrO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. Cr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OMg2TiCr2 square pyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Cr(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OMg2TiCr2 square pyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   5.210
_cell_angle_alpha   133.039
_cell_angle_beta   132.499
_cell_angle_gamma   69.018
_symmetry_Int_Tables_number   1
_cell_volume   74.787
_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  0.485  0.485  0.000  1.0
  Ti  Ti1  1  0.738  0.238  0.500  1.0
  Cr  Cr2  1  0.990  0.990  0.000  1.0
  O  O3  1  0.511  0.011  0.500  1.0
  O  O4  1  0.235  0.235  0.000  1.0
  O  O5  1  0.966  0.466  0.500  1.0
  O  O6  1  0.743  0.743  0.000  1.0
[/CIF]
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