The material described by MgTm6WO12 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form MgO6 octahedra that share  a faceface with one W(1)O6 octahedra. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share  a faceface with one Mg(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Tm(2), two equivalent Tm(1), and one W(1) atom to form distorted OTm3W trigonal pyramids that share corners with six equivalent O(4)Tm4 tetrahedra and corners with four equivalent O(1)Tm3W trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Tm(2), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Tm(1), and two equivalent Tm(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Tm(1) and two equivalent Tm(2) atoms to form OTm4 tetrahedra that share corners with four equivalent O(4)Tm4 tetrahedra and corners with six equivalent O(1)Tm3W trigonal pyramids. is represented by the CIF card [CIF]
data_Tm6MgWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   6.473
_cell_angle_alpha   99.580
_cell_angle_beta   99.580
_cell_angle_gamma   99.580
_symmetry_Int_Tables_number   1
_cell_volume   258.448
_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  0.395  0.858  0.668  1.0
  Tm  Tm1  1  0.303  0.651  0.132  1.0
  Tm  Tm2  1  0.132  0.303  0.651  1.0
  Tm  Tm3  1  0.858  0.668  0.395  1.0
  Tm  Tm4  1  0.668  0.395  0.858  1.0
  Tm  Tm5  1  0.651  0.132  0.303  1.0
  Mg  Mg6  1  0.273  0.273  0.273  1.0
  W  W7  1  0.981  0.981  0.981  1.0
  O  O8  1  0.056  0.918  0.680  1.0
  O  O9  1  0.307  0.979  0.097  1.0
  O  O10  1  0.190  0.560  0.417  1.0
  O  O11  1  0.582  0.828  0.408  1.0
  O  O12  1  0.097  0.307  0.979  1.0
  O  O13  1  0.408  0.582  0.828  1.0
  O  O14  1  0.560  0.417  0.190  1.0
  O  O15  1  0.918  0.680  0.056  1.0
  O  O16  1  0.417  0.190  0.560  1.0
  O  O17  1  0.828  0.408  0.582  1.0
  O  O18  1  0.680  0.056  0.918  1.0
  O  O19  1  0.979  0.097  0.307  1.0
[/CIF]
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The material described by MgTm6WO12 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form MgO6 octahedra that share  a faceface with one W(1)O6 octahedra. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share  a faceface with one Mg(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Tm(2), two equivalent Tm(1), and one W(1) atom to form distorted OTm3W trigonal pyramids that share corners with six equivalent O(4)Tm4 tetrahedra and corners with four equivalent O(1)Tm3W trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Tm(2), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Tm(1), and two equivalent Tm(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Tm(1) and two equivalent Tm(2) atoms to form OTm4 tetrahedra that share corners with four equivalent O(4)Tm4 tetrahedra and corners with six equivalent O(1)Tm3W trigonal pyramids. is represented by the CIF card [CIF]
data_Tm6MgWO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   6.473
_cell_angle_alpha   99.580
_cell_angle_beta   99.580
_cell_angle_gamma   99.580
_symmetry_Int_Tables_number   1
_cell_volume   258.448
_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  0.395  0.858  0.668  1.0
  Tm  Tm1  1  0.303  0.651  0.132  1.0
  Tm  Tm2  1  0.132  0.303  0.651  1.0
  Tm  Tm3  1  0.858  0.668  0.395  1.0
  Tm  Tm4  1  0.668  0.395  0.858  1.0
  Tm  Tm5  1  0.651  0.132  0.303  1.0
  Mg  Mg6  1  0.273  0.273  0.273  1.0
  W  W7  1  0.981  0.981  0.981  1.0
  O  O8  1  0.056  0.918  0.680  1.0
  O  O9  1  0.307  0.979  0.097  1.0
  O  O10  1  0.190  0.560  0.417  1.0
  O  O11  1  0.582  0.828  0.408  1.0
  O  O12  1  0.097  0.307  0.979  1.0
  O  O13  1  0.408  0.582  0.828  1.0
  O  O14  1  0.560  0.417  0.190  1.0
  O  O15  1  0.918  0.680  0.056  1.0
  O  O16  1  0.417  0.190  0.560  1.0
  O  O17  1  0.828  0.408  0.582  1.0
  O  O18  1  0.680  0.056  0.918  1.0
  O  O19  1  0.979  0.097  0.307  1.0
[/CIF]
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