The material structure described by MgCeTi2O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ce(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ce(1), one Ti(1), and one Ti(2) atom to form distorted OCeMg2Ti2 trigonal bipyramids that share corners with two equivalent O(2)CeMg2Ti2 trigonal bipyramids,  a cornercorner with one O(4)Ce2MgTi trigonal pyramid, and edges with two equivalent O(4)Ce2MgTi trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Ce(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ce(1), and one Ti(2) atom to form OCe2MgTi trigonal pyramids that share  a cornercorner with one O(2)CeMg2Ti2 trigonal bipyramid, corners with two equivalent O(4)Ce2MgTi trigonal pyramids, and edges with two equivalent O(2)CeMg2Ti2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.039
_cell_length_b   5.252
_cell_length_c   6.974
_cell_angle_alpha   69.466
_cell_angle_beta   73.183
_cell_angle_gamma   67.383
_symmetry_Int_Tables_number   1
_cell_volume   125.822
_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
  Ce  Ce0  1  0.964  0.580  0.491  1.0
  Mg  Mg1  1  0.524  0.163  0.789  1.0
  Ti  Ti2  1  0.797  0.291  0.114  1.0
  Ti  Ti3  1  0.179  0.717  0.923  1.0
  O  O4  1  0.984  0.866  0.165  1.0
  O  O5  1  0.034  0.159  0.773  1.0
  O  O6  1  0.660  0.296  0.384  1.0
  O  O7  1  0.364  0.619  0.653  1.0
  O  O8  1  0.322  0.292  0.063  1.0
  O  O9  1  0.688  0.717  0.906  1.0
[/CIF]
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The material structure described by MgCeTi2O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ce(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ce(1), one Ti(1), and one Ti(2) atom to form distorted OCeMg2Ti2 trigonal bipyramids that share corners with two equivalent O(2)CeMg2Ti2 trigonal bipyramids,  a cornercorner with one O(4)Ce2MgTi trigonal pyramid, and edges with two equivalent O(4)Ce2MgTi trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Ce(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ce(1), and one Ti(2) atom to form OCe2MgTi trigonal pyramids that share  a cornercorner with one O(2)CeMg2Ti2 trigonal bipyramid, corners with two equivalent O(4)Ce2MgTi trigonal pyramids, and edges with two equivalent O(2)CeMg2Ti2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.039
_cell_length_b   5.252
_cell_length_c   6.974
_cell_angle_alpha   69.466
_cell_angle_beta   73.183
_cell_angle_gamma   67.383
_symmetry_Int_Tables_number   1
_cell_volume   125.822
_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
  Ce  Ce0  1  0.964  0.580  0.491  1.0
  Mg  Mg1  1  0.524  0.163  0.789  1.0
  Ti  Ti2  1  0.797  0.291  0.114  1.0
  Ti  Ti3  1  0.179  0.717  0.923  1.0
  O  O4  1  0.984  0.866  0.165  1.0
  O  O5  1  0.034  0.159  0.773  1.0
  O  O6  1  0.660  0.296  0.384  1.0
  O  O7  1  0.364  0.619  0.653  1.0
  O  O8  1  0.322  0.292  0.063  1.0
  O  O9  1  0.688  0.717  0.906  1.0
[/CIF]
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