The compound described by MgTm4Ti2O10 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Ti(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Tm(2), two equivalent Tm(1), and one Ti(1) atom to form distorted OTm3MgTi trigonal bipyramids that share corners with two equivalent O(2)Tm3MgTi trigonal bipyramids,  a cornercorner with one O(5)Tm2Ti2 trigonal pyramid, edges with four equivalent O(3)Tm3MgTi square pyramids,  an edgeedge with one O(2)Tm3MgTi trigonal bipyramid, and edges with two equivalent O(5)Tm2Ti2 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Tm(1), two equivalent Tm(2), and one Ti(1) atom to form distorted OTm3MgTi square pyramids that share corners with two equivalent O(3)Tm3MgTi square pyramids, corners with three equivalent O(5)Tm2Ti2 trigonal pyramids,  an edgeedge with one O(3)Tm3MgTi square pyramid, edges with four equivalent O(2)Tm3MgTi trigonal bipyramids, and  an edgeedge with one O(5)Tm2Ti2 trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Tm(1), one Tm(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded to one Tm(1), one Tm(2), one Ti(1), and one Ti(2) atom to form distorted OTm2Ti2 trigonal pyramids that share corners with three equivalent O(3)Tm3MgTi square pyramids,  a cornercorner with one O(2)Tm3MgTi trigonal bipyramid, corners with two equivalent O(5)Tm2Ti2 trigonal pyramids,  an edgeedge with one O(3)Tm3MgTi square pyramid, and edges with two equivalent O(2)Tm3MgTi trigonal bipyramids. is represented by the CIF card [CIF]
data_Tm4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   6.764
_cell_length_c   7.676
_cell_angle_alpha   67.066
_cell_angle_beta   92.717
_cell_angle_gamma   60.736
_symmetry_Int_Tables_number   1
_cell_volume   212.732
_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  0.705  0.704  0.748  1.0
  Tm  Tm1  1  0.732  0.784  0.259  1.0
  Tm  Tm2  1  0.268  0.216  0.741  1.0
  Tm  Tm3  1  0.295  0.296  0.252  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.754  0.835  0.961  1.0
  O  O8  1  0.421  0.860  0.446  1.0
  O  O9  1  0.065  0.635  0.585  1.0
  O  O10  1  0.749  0.347  0.777  1.0
  O  O11  1  0.251  0.653  0.223  1.0
  O  O12  1  0.935  0.365  0.415  1.0
  O  O13  1  0.579  0.140  0.554  1.0
  O  O14  1  0.224  0.898  0.771  1.0
  O  O15  1  0.246  0.165  0.039  1.0
  O  O16  1  0.776  0.102  0.229  1.0
[/CIF]
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The compound described by MgTm4Ti2O10 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Ti(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Tm(2), two equivalent Tm(1), and one Ti(1) atom to form distorted OTm3MgTi trigonal bipyramids that share corners with two equivalent O(2)Tm3MgTi trigonal bipyramids,  a cornercorner with one O(5)Tm2Ti2 trigonal pyramid, edges with four equivalent O(3)Tm3MgTi square pyramids,  an edgeedge with one O(2)Tm3MgTi trigonal bipyramid, and edges with two equivalent O(5)Tm2Ti2 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Tm(1), two equivalent Tm(2), and one Ti(1) atom to form distorted OTm3MgTi square pyramids that share corners with two equivalent O(3)Tm3MgTi square pyramids, corners with three equivalent O(5)Tm2Ti2 trigonal pyramids,  an edgeedge with one O(3)Tm3MgTi square pyramid, edges with four equivalent O(2)Tm3MgTi trigonal bipyramids, and  an edgeedge with one O(5)Tm2Ti2 trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Tm(1), one Tm(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded to one Tm(1), one Tm(2), one Ti(1), and one Ti(2) atom to form distorted OTm2Ti2 trigonal pyramids that share corners with three equivalent O(3)Tm3MgTi square pyramids,  a cornercorner with one O(2)Tm3MgTi trigonal bipyramid, corners with two equivalent O(5)Tm2Ti2 trigonal pyramids,  an edgeedge with one O(3)Tm3MgTi square pyramid, and edges with two equivalent O(2)Tm3MgTi trigonal bipyramids. is represented by the CIF card [CIF]
data_Tm4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   6.764
_cell_length_c   7.676
_cell_angle_alpha   67.066
_cell_angle_beta   92.717
_cell_angle_gamma   60.736
_symmetry_Int_Tables_number   1
_cell_volume   212.732
_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  0.705  0.704  0.748  1.0
  Tm  Tm1  1  0.732  0.784  0.259  1.0
  Tm  Tm2  1  0.268  0.216  0.741  1.0
  Tm  Tm3  1  0.295  0.296  0.252  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.754  0.835  0.961  1.0
  O  O8  1  0.421  0.860  0.446  1.0
  O  O9  1  0.065  0.635  0.585  1.0
  O  O10  1  0.749  0.347  0.777  1.0
  O  O11  1  0.251  0.653  0.223  1.0
  O  O12  1  0.935  0.365  0.415  1.0
  O  O13  1  0.579  0.140  0.554  1.0
  O  O14  1  0.224  0.898  0.771  1.0
  O  O15  1  0.246  0.165  0.039  1.0
  O  O16  1  0.776  0.102  0.229  1.0
[/CIF]
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