The material structure described by Mn3AlO6 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(7), and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Al site, Al(2) is bonded to one O(2), one O(9), and two equivalent O(6) atoms to form AlO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(1), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(3), two equivalent Mn(1), and one Al(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), and one Al(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(6), and one Al(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(1), and one Al(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Mn(6), two equivalent Mn(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3AlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   5.998
_cell_length_c   14.781
_cell_angle_alpha   88.446
_cell_angle_beta   88.446
_cell_angle_gamma   59.128
_symmetry_Int_Tables_number   1
_cell_volume   456.179
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.840  0.328  0.665  1.0
  Mn  Mn1  1  0.160  0.672  0.335  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.331  0.331  0.667  1.0
  Mn  Mn4  1  0.669  0.669  0.333  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.836  0.836  0.173  1.0
  Mn  Mn8  1  0.164  0.164  0.827  1.0
  Mn  Mn9  1  0.328  0.840  0.665  1.0
  Mn  Mn10  1  0.672  0.160  0.335  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Al  Al12  1  0.166  0.166  0.446  1.0
  Al  Al13  1  0.498  0.498  0.131  1.0
  Al  Al14  1  0.834  0.834  0.554  1.0
  Al  Al15  1  0.502  0.502  0.869  1.0
  O  O16  1  0.166  0.166  0.567  1.0
  O  O17  1  0.501  0.501  0.251  1.0
  O  O18  1  0.837  0.837  0.944  1.0
  O  O19  1  0.664  0.172  0.592  1.0
  O  O20  1  0.981  0.548  0.261  1.0
  O  O21  1  0.329  0.840  0.909  1.0
  O  O22  1  0.172  0.664  0.592  1.0
  O  O23  1  0.548  0.981  0.261  1.0
  O  O24  1  0.840  0.329  0.909  1.0
  O  O25  1  0.665  0.665  0.593  1.0
  O  O26  1  0.983  0.983  0.267  1.0
  O  O27  1  0.337  0.337  0.918  1.0
  O  O28  1  0.336  0.828  0.408  1.0
  O  O29  1  0.671  0.160  0.091  1.0
  O  O30  1  0.019  0.452  0.739  1.0
  O  O31  1  0.834  0.834  0.433  1.0
  O  O32  1  0.163  0.163  0.056  1.0
  O  O33  1  0.499  0.499  0.749  1.0
  O  O34  1  0.828  0.336  0.408  1.0
  O  O35  1  0.160  0.671  0.091  1.0
  O  O36  1  0.452  0.019  0.739  1.0
  O  O37  1  0.335  0.335  0.407  1.0
  O  O38  1  0.663  0.663  0.082  1.0
  O  O39  1  0.017  0.017  0.733  1.0
[/CIF]
.
The material structure described by Mn3AlO6 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(7), and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Al site, Al(2) is bonded to one O(2), one O(9), and two equivalent O(6) atoms to form AlO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(1), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(3), two equivalent Mn(1), and one Al(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), and one Al(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(6), and one Al(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(1), and one Al(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Mn(6), two equivalent Mn(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3AlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   5.998
_cell_length_c   14.781
_cell_angle_alpha   88.446
_cell_angle_beta   88.446
_cell_angle_gamma   59.128
_symmetry_Int_Tables_number   1
_cell_volume   456.179
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.840  0.328  0.665  1.0
  Mn  Mn1  1  0.160  0.672  0.335  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.331  0.331  0.667  1.0
  Mn  Mn4  1  0.669  0.669  0.333  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.836  0.836  0.173  1.0
  Mn  Mn8  1  0.164  0.164  0.827  1.0
  Mn  Mn9  1  0.328  0.840  0.665  1.0
  Mn  Mn10  1  0.672  0.160  0.335  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Al  Al12  1  0.166  0.166  0.446  1.0
  Al  Al13  1  0.498  0.498  0.131  1.0
  Al  Al14  1  0.834  0.834  0.554  1.0
  Al  Al15  1  0.502  0.502  0.869  1.0
  O  O16  1  0.166  0.166  0.567  1.0
  O  O17  1  0.501  0.501  0.251  1.0
  O  O18  1  0.837  0.837  0.944  1.0
  O  O19  1  0.664  0.172  0.592  1.0
  O  O20  1  0.981  0.548  0.261  1.0
  O  O21  1  0.329  0.840  0.909  1.0
  O  O22  1  0.172  0.664  0.592  1.0
  O  O23  1  0.548  0.981  0.261  1.0
  O  O24  1  0.840  0.329  0.909  1.0
  O  O25  1  0.665  0.665  0.593  1.0
  O  O26  1  0.983  0.983  0.267  1.0
  O  O27  1  0.337  0.337  0.918  1.0
  O  O28  1  0.336  0.828  0.408  1.0
  O  O29  1  0.671  0.160  0.091  1.0
  O  O30  1  0.019  0.452  0.739  1.0
  O  O31  1  0.834  0.834  0.433  1.0
  O  O32  1  0.163  0.163  0.056  1.0
  O  O33  1  0.499  0.499  0.749  1.0
  O  O34  1  0.828  0.336  0.408  1.0
  O  O35  1  0.160  0.671  0.091  1.0
  O  O36  1  0.452  0.019  0.739  1.0
  O  O37  1  0.335  0.335  0.407  1.0
  O  O38  1  0.663  0.663  0.082  1.0
  O  O39  1  0.017  0.017  0.733  1.0
[/CIF]
.