The material structure described by MgTm4Ti2O10 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to one O(5), two equivalent O(2), and three equivalent O(3) atoms. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to one O(1), one O(5), and three equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Tm(2), and one Ti(1) atom to form distorted OTmMg2Ti trigonal pyramids that share  a cornercorner with one O(3)Tm3Ti tetrahedra, corners with three equivalent O(5)Tm2Ti2 tetrahedra, corners with three equivalent O(4)Tm3Mg tetrahedra, corners with four equivalent O(1)TmMg2Ti trigonal pyramids, edges with two equivalent O(4)Tm3Mg tetrahedra, and  an edgeedge with one O(1)TmMg2Ti trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Tm(1) and one Ti(1) atom. In the third O site, O(3) is bonded to three equivalent Tm(1) and one Ti(1) atom to form OTm3Ti tetrahedra that share  a cornercorner with one O(5)Tm2Ti2 tetrahedra, corners with two equivalent O(3)Tm3Ti tetrahedra,  a cornercorner with one O(1)TmMg2Ti trigonal pyramid, edges with two equivalent O(5)Tm2Ti2 tetrahedra, and edges with two equivalent O(3)Tm3Ti tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1) and three equivalent Tm(2) atoms to form OTm3Mg tetrahedra that share corners with three equivalent O(5)Tm2Ti2 tetrahedra, corners with three equivalent O(4)Tm3Mg tetrahedra, corners with three equivalent O(1)TmMg2Ti trigonal pyramids, edges with two equivalent O(4)Tm3Mg tetrahedra, and edges with two equivalent O(1)TmMg2Ti trigonal pyramids. In the fifth O site, O(5) is bonded to one Tm(1), one Tm(2), and two equivalent Ti(1) atoms to form OTm2Ti2 tetrahedra that share  a cornercorner with one O(3)Tm3Ti tetrahedra, corners with two equivalent O(5)Tm2Ti2 tetrahedra, corners with three equivalent O(4)Tm3Mg tetrahedra, corners with three equivalent O(1)TmMg2Ti trigonal pyramids, and edges with two equivalent O(3)Tm3Ti tetrahedra. is represented by the CIF card [CIF]
data_Tm4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.877
_cell_length_b   5.885
_cell_length_c   11.566
_cell_angle_alpha   101.162
_cell_angle_beta   90.000
_cell_angle_gamma   70.768
_symmetry_Int_Tables_number   1
_cell_volume   243.833
_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
  Tm  Tm0  1  0.149  0.701  0.942  1.0
  Tm  Tm1  1  0.179  0.642  0.618  1.0
  Tm  Tm2  1  0.851  0.299  0.058  1.0
  Tm  Tm3  1  0.821  0.358  0.382  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Ti  Ti5  1  0.134  0.731  0.232  1.0
  Ti  Ti6  1  0.866  0.269  0.768  1.0
  O  O7  1  0.025  0.951  0.378  1.0
  O  O8  1  0.023  0.954  0.122  1.0
  O  O9  1  0.728  0.544  0.923  1.0
  O  O10  1  0.665  0.669  0.535  1.0
  O  O11  1  0.294  0.411  0.753  1.0
  O  O12  1  0.706  0.589  0.247  1.0
  O  O13  1  0.272  0.456  0.077  1.0
  O  O14  1  0.335  0.331  0.465  1.0
  O  O15  1  0.975  0.049  0.622  1.0
  O  O16  1  0.977  0.046  0.878  1.0
[/CIF]
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The material structure described by MgTm4Ti2O10 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to one O(5), two equivalent O(2), and three equivalent O(3) atoms. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to one O(1), one O(5), and three equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Tm(2), and one Ti(1) atom to form distorted OTmMg2Ti trigonal pyramids that share  a cornercorner with one O(3)Tm3Ti tetrahedra, corners with three equivalent O(5)Tm2Ti2 tetrahedra, corners with three equivalent O(4)Tm3Mg tetrahedra, corners with four equivalent O(1)TmMg2Ti trigonal pyramids, edges with two equivalent O(4)Tm3Mg tetrahedra, and  an edgeedge with one O(1)TmMg2Ti trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Tm(1) and one Ti(1) atom. In the third O site, O(3) is bonded to three equivalent Tm(1) and one Ti(1) atom to form OTm3Ti tetrahedra that share  a cornercorner with one O(5)Tm2Ti2 tetrahedra, corners with two equivalent O(3)Tm3Ti tetrahedra,  a cornercorner with one O(1)TmMg2Ti trigonal pyramid, edges with two equivalent O(5)Tm2Ti2 tetrahedra, and edges with two equivalent O(3)Tm3Ti tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1) and three equivalent Tm(2) atoms to form OTm3Mg tetrahedra that share corners with three equivalent O(5)Tm2Ti2 tetrahedra, corners with three equivalent O(4)Tm3Mg tetrahedra, corners with three equivalent O(1)TmMg2Ti trigonal pyramids, edges with two equivalent O(4)Tm3Mg tetrahedra, and edges with two equivalent O(1)TmMg2Ti trigonal pyramids. In the fifth O site, O(5) is bonded to one Tm(1), one Tm(2), and two equivalent Ti(1) atoms to form OTm2Ti2 tetrahedra that share  a cornercorner with one O(3)Tm3Ti tetrahedra, corners with two equivalent O(5)Tm2Ti2 tetrahedra, corners with three equivalent O(4)Tm3Mg tetrahedra, corners with three equivalent O(1)TmMg2Ti trigonal pyramids, and edges with two equivalent O(3)Tm3Ti tetrahedra. is represented by the CIF card [CIF]
data_Tm4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.877
_cell_length_b   5.885
_cell_length_c   11.566
_cell_angle_alpha   101.162
_cell_angle_beta   90.000
_cell_angle_gamma   70.768
_symmetry_Int_Tables_number   1
_cell_volume   243.833
_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
  Tm  Tm0  1  0.149  0.701  0.942  1.0
  Tm  Tm1  1  0.179  0.642  0.618  1.0
  Tm  Tm2  1  0.851  0.299  0.058  1.0
  Tm  Tm3  1  0.821  0.358  0.382  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Ti  Ti5  1  0.134  0.731  0.232  1.0
  Ti  Ti6  1  0.866  0.269  0.768  1.0
  O  O7  1  0.025  0.951  0.378  1.0
  O  O8  1  0.023  0.954  0.122  1.0
  O  O9  1  0.728  0.544  0.923  1.0
  O  O10  1  0.665  0.669  0.535  1.0
  O  O11  1  0.294  0.411  0.753  1.0
  O  O12  1  0.706  0.589  0.247  1.0
  O  O13  1  0.272  0.456  0.077  1.0
  O  O14  1  0.335  0.331  0.465  1.0
  O  O15  1  0.975  0.049  0.622  1.0
  O  O16  1  0.977  0.046  0.878  1.0
[/CIF]
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