The compound described by MgTm4Ti2O10 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted TmO6 octahedra that share corners with two equivalent Tm(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a faceface with one Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms. Ti(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Tm(2), two equivalent Tm(1), and one Ti(1) atom to form edge-sharing OTm3Ti trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Tm(1), two equivalent Tm(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Tm(2), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tm(1) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Tm(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.276
_cell_length_c   7.980
_cell_angle_alpha   67.804
_cell_angle_beta   90.000
_cell_angle_gamma   62.680
_symmetry_Int_Tables_number   1
_cell_volume   232.010
_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  0.648  0.733  0.713  1.0
  Tm  Tm1  1  0.648  0.729  0.223  1.0
  Tm  Tm2  1  0.381  0.267  0.787  1.0
  Tm  Tm3  1  0.377  0.271  0.277  1.0
  Mg  Mg4  1  0.092  0.000  0.250  1.0
  Ti  Ti5  1  0.975  0.020  0.576  1.0
  Ti  Ti6  1  0.995  0.980  0.924  1.0
  O  O7  1  0.748  0.838  0.945  1.0
  O  O8  1  0.424  0.834  0.446  1.0
  O  O9  1  0.046  0.669  0.658  1.0
  O  O10  1  0.715  0.331  0.842  1.0
  O  O11  1  0.286  0.685  0.148  1.0
  O  O12  1  0.971  0.315  0.352  1.0
  O  O13  1  0.586  0.162  0.555  1.0
  O  O14  1  0.238  0.000  0.750  1.0
  O  O15  1  0.258  0.166  0.054  1.0
  O  O16  1  0.762  0.000  0.250  1.0
[/CIF]
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The compound described by MgTm4Ti2O10 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted TmO6 octahedra that share corners with two equivalent Tm(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a faceface with one Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms. Ti(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Tm(2), two equivalent Tm(1), and one Ti(1) atom to form edge-sharing OTm3Ti trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Tm(1), two equivalent Tm(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Tm(2), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tm(1) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Tm(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.276
_cell_length_c   7.980
_cell_angle_alpha   67.804
_cell_angle_beta   90.000
_cell_angle_gamma   62.680
_symmetry_Int_Tables_number   1
_cell_volume   232.010
_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  0.648  0.733  0.713  1.0
  Tm  Tm1  1  0.648  0.729  0.223  1.0
  Tm  Tm2  1  0.381  0.267  0.787  1.0
  Tm  Tm3  1  0.377  0.271  0.277  1.0
  Mg  Mg4  1  0.092  0.000  0.250  1.0
  Ti  Ti5  1  0.975  0.020  0.576  1.0
  Ti  Ti6  1  0.995  0.980  0.924  1.0
  O  O7  1  0.748  0.838  0.945  1.0
  O  O8  1  0.424  0.834  0.446  1.0
  O  O9  1  0.046  0.669  0.658  1.0
  O  O10  1  0.715  0.331  0.842  1.0
  O  O11  1  0.286  0.685  0.148  1.0
  O  O12  1  0.971  0.315  0.352  1.0
  O  O13  1  0.586  0.162  0.555  1.0
  O  O14  1  0.238  0.000  0.750  1.0
  O  O15  1  0.258  0.166  0.054  1.0
  O  O16  1  0.762  0.000  0.250  1.0
[/CIF]
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