The material described by MgTm6WO12 is Corundum-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Tm(1)O6 pentagonal pyramids and edges with six equivalent Tm(1)O6 pentagonal pyramids. Tm(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TmO6 pentagonal pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra, corners with four equivalent Tm(1)O6 pentagonal pyramids,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and edges with four equivalent Tm(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 34-48°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Tm(1)O6 pentagonal pyramids and edges with six equivalent Tm(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Tm(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing OTm3W trigonal pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Mg(1) and three equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_Tm6MgWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.485
_cell_length_b   6.485
_cell_length_c   6.485
_cell_angle_alpha   92.928
_cell_angle_beta   92.928
_cell_angle_gamma   92.928
_symmetry_Int_Tables_number   1
_cell_volume   271.667
_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  0.437  0.921  0.736  1.0
  Tm  Tm1  1  0.264  0.563  0.079  1.0
  Tm  Tm2  1  0.079  0.264  0.563  1.0
  Tm  Tm3  1  0.921  0.736  0.437  1.0
  Tm  Tm4  1  0.736  0.437  0.921  1.0
  Tm  Tm5  1  0.563  0.079  0.264  1.0
  Mg  Mg6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.079  0.930  0.695  1.0
  O  O9  1  0.305  0.921  0.070  1.0
  O  O10  1  0.190  0.540  0.407  1.0
  O  O11  1  0.593  0.810  0.460  1.0
  O  O12  1  0.070  0.305  0.921  1.0
  O  O13  1  0.460  0.593  0.810  1.0
  O  O14  1  0.540  0.407  0.190  1.0
  O  O15  1  0.930  0.695  0.079  1.0
  O  O16  1  0.407  0.190  0.540  1.0
  O  O17  1  0.810  0.460  0.593  1.0
  O  O18  1  0.695  0.079  0.930  1.0
  O  O19  1  0.921  0.070  0.305  1.0
[/CIF]
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The material described by MgTm6WO12 is Corundum-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Tm(1)O6 pentagonal pyramids and edges with six equivalent Tm(1)O6 pentagonal pyramids. Tm(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TmO6 pentagonal pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra, corners with four equivalent Tm(1)O6 pentagonal pyramids,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and edges with four equivalent Tm(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 34-48°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Tm(1)O6 pentagonal pyramids and edges with six equivalent Tm(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Tm(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing OTm3W trigonal pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Mg(1) and three equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_Tm6MgWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.485
_cell_length_b   6.485
_cell_length_c   6.485
_cell_angle_alpha   92.928
_cell_angle_beta   92.928
_cell_angle_gamma   92.928
_symmetry_Int_Tables_number   1
_cell_volume   271.667
_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  0.437  0.921  0.736  1.0
  Tm  Tm1  1  0.264  0.563  0.079  1.0
  Tm  Tm2  1  0.079  0.264  0.563  1.0
  Tm  Tm3  1  0.921  0.736  0.437  1.0
  Tm  Tm4  1  0.736  0.437  0.921  1.0
  Tm  Tm5  1  0.563  0.079  0.264  1.0
  Mg  Mg6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.079  0.930  0.695  1.0
  O  O9  1  0.305  0.921  0.070  1.0
  O  O10  1  0.190  0.540  0.407  1.0
  O  O11  1  0.593  0.810  0.460  1.0
  O  O12  1  0.070  0.305  0.921  1.0
  O  O13  1  0.460  0.593  0.810  1.0
  O  O14  1  0.540  0.407  0.190  1.0
  O  O15  1  0.930  0.695  0.079  1.0
  O  O16  1  0.407  0.190  0.540  1.0
  O  O17  1  0.810  0.460  0.593  1.0
  O  O18  1  0.695  0.079  0.930  1.0
  O  O19  1  0.921  0.070  0.305  1.0
[/CIF]
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