The material structure described by MgTb4Al2(FeO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent Tb(2)O7 pentagonal bipyramids,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Al(2)O6 square pyramid, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O5 square pyramid, and  a faceface with one Al(2)O6 square pyramid. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom. In the second Tb site, Tb(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid, edges with two equivalent Al(2)O6 square pyramids, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-34°. In the third Tb site, Tb(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Tb site, Tb(4) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(3), one O(4), and one O(8) atom to form distorted FeO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Tb(2)O7 pentagonal bipyramid, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Al(2)O6 square pyramid. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form AlO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(2)O5 square pyramids, and  an edgeedge with one Tb(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 47-50°. In the second Al site, Al(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form distorted AlO6 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Tb(2)O7 pentagonal bipyramids,  an edgeedge with one Fe(2)O5 square pyramid, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Tb(1), one Tb(2), one Tb(3), and one Al(2) atom. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Al(1) atom to form OTb3Al trigonal pyramids that share corners with two equivalent O(5)Tb3AlFe trigonal bipyramids and edges with two equivalent O(6)Tb3Al trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Tb(3), one Tb(4), one Fe(2), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Tb(4), one Fe(1), one Fe(2), and one Al(1) atom. In the fifth O site, O(5) is bonded to one Tb(1), one Tb(2), one Tb(4), one Fe(1), and one Al(2) atom to form distorted corner-sharing OTb3AlFe trigonal bipyramids. In the sixth O site, O(6) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Al(1) atom to form distorted OTb3Al trigonal pyramids that share corners with two equivalent O(5)Tb3AlFe trigonal bipyramids and edges with two equivalent O(2)Tb3Al trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Tb(3), one Tb(4), and one Al(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Al(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Mg(1), one Tb(2), one Tb(4), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Tb(3), one Tb(4), one Fe(2), and one Al(1) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Tb(1), one Tb(2), one Tb(3), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Mg(1), one Tb(1), one Tb(2), one Fe(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Tb4MgAl2(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.867
_cell_length_c   8.216
_cell_angle_alpha   94.573
_cell_angle_beta   85.011
_cell_angle_gamma   95.167
_symmetry_Int_Tables_number   1
_cell_volume   257.849
_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
  Tb  Tb0  1  0.570  0.564  0.255  1.0
  Tb  Tb1  1  0.977  0.074  0.221  1.0
  Tb  Tb2  1  0.448  0.071  0.471  1.0
  Tb  Tb3  1  0.001  0.934  0.785  1.0
  Mg  Mg4  1  0.490  0.320  0.857  1.0
  Al  Al5  1  0.033  0.444  0.543  1.0
  Al  Al6  1  0.472  0.910  0.004  1.0
  Fe  Fe7  1  0.986  0.492  0.951  1.0
  Fe  Fe8  1  0.527  0.675  0.658  1.0
  O  O9  1  0.350  0.886  0.224  1.0
  O  O10  1  0.244  0.341  0.356  1.0
  O  O11  1  0.603  0.003  0.776  1.0
  O  O12  1  0.809  0.527  0.730  1.0
  O  O13  1  0.782  0.802  0.039  1.0
  O  O14  1  0.768  0.336  0.420  1.0
  O  O15  1  0.188  0.251  0.668  1.0
  O  O16  1  0.329  0.633  0.914  1.0
  O  O17  1  0.229  0.114  0.983  1.0
  O  O18  1  0.214  0.731  0.571  1.0
  O  O19  1  0.757  0.836  0.414  1.0
  O  O20  1  0.723  0.292  0.062  1.0
[/CIF]
.
The material structure described by MgTb4Al2(FeO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent Tb(2)O7 pentagonal bipyramids,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Al(2)O6 square pyramid, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O5 square pyramid, and  a faceface with one Al(2)O6 square pyramid. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom. In the second Tb site, Tb(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid, edges with two equivalent Al(2)O6 square pyramids, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-34°. In the third Tb site, Tb(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Tb site, Tb(4) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(3), one O(4), and one O(8) atom to form distorted FeO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Tb(2)O7 pentagonal bipyramid, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Al(2)O6 square pyramid. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form AlO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(2)O5 square pyramids, and  an edgeedge with one Tb(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 47-50°. In the second Al site, Al(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form distorted AlO6 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Tb(2)O7 pentagonal bipyramids,  an edgeedge with one Fe(2)O5 square pyramid, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Tb(1), one Tb(2), one Tb(3), and one Al(2) atom. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Al(1) atom to form OTb3Al trigonal pyramids that share corners with two equivalent O(5)Tb3AlFe trigonal bipyramids and edges with two equivalent O(6)Tb3Al trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Tb(3), one Tb(4), one Fe(2), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Tb(4), one Fe(1), one Fe(2), and one Al(1) atom. In the fifth O site, O(5) is bonded to one Tb(1), one Tb(2), one Tb(4), one Fe(1), and one Al(2) atom to form distorted corner-sharing OTb3AlFe trigonal bipyramids. In the sixth O site, O(6) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Al(1) atom to form distorted OTb3Al trigonal pyramids that share corners with two equivalent O(5)Tb3AlFe trigonal bipyramids and edges with two equivalent O(2)Tb3Al trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Tb(3), one Tb(4), and one Al(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Al(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Mg(1), one Tb(2), one Tb(4), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Tb(3), one Tb(4), one Fe(2), and one Al(1) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Tb(1), one Tb(2), one Tb(3), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Mg(1), one Tb(1), one Tb(2), one Fe(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Tb4MgAl2(FeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.867
_cell_length_c   8.216
_cell_angle_alpha   94.573
_cell_angle_beta   85.011
_cell_angle_gamma   95.167
_symmetry_Int_Tables_number   1
_cell_volume   257.849
_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
  Tb  Tb0  1  0.570  0.564  0.255  1.0
  Tb  Tb1  1  0.977  0.074  0.221  1.0
  Tb  Tb2  1  0.448  0.071  0.471  1.0
  Tb  Tb3  1  0.001  0.934  0.785  1.0
  Mg  Mg4  1  0.490  0.320  0.857  1.0
  Al  Al5  1  0.033  0.444  0.543  1.0
  Al  Al6  1  0.472  0.910  0.004  1.0
  Fe  Fe7  1  0.986  0.492  0.951  1.0
  Fe  Fe8  1  0.527  0.675  0.658  1.0
  O  O9  1  0.350  0.886  0.224  1.0
  O  O10  1  0.244  0.341  0.356  1.0
  O  O11  1  0.603  0.003  0.776  1.0
  O  O12  1  0.809  0.527  0.730  1.0
  O  O13  1  0.782  0.802  0.039  1.0
  O  O14  1  0.768  0.336  0.420  1.0
  O  O15  1  0.188  0.251  0.668  1.0
  O  O16  1  0.329  0.633  0.914  1.0
  O  O17  1  0.229  0.114  0.983  1.0
  O  O18  1  0.214  0.731  0.571  1.0
  O  O19  1  0.757  0.836  0.414  1.0
  O  O20  1  0.723  0.292  0.062  1.0
[/CIF]
.