The crystal structure described by Mn2AlO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with two equivalent Al(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Al(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Al(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-57°. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-70°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Al(1) atom. In the second O site, O(2) is bonded to one Mn(2), two equivalent Mn(1), and one Al(1) atom to form distorted corner-sharing OMn3Al trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.967
_cell_length_b   10.420
_cell_length_c   6.294
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.718
_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  0.500  0.500  1.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.970  0.278  0.250  1.0
  Mn  Mn3  1  0.030  0.722  0.750  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.469  0.222  0.750  1.0
  Mn  Mn7  1  0.531  0.778  0.250  1.0
  Al  Al8  1  0.421  0.089  0.250  1.0
  Al  Al9  1  0.921  0.411  0.750  1.0
  Al  Al10  1  0.079  0.589  0.250  1.0
  Al  Al11  1  0.578  0.911  0.750  1.0
  O  O12  1  0.756  0.064  0.750  1.0
  O  O13  1  0.256  0.436  0.250  1.0
  O  O14  1  0.744  0.564  0.750  1.0
  O  O15  1  0.244  0.936  0.250  1.0
  O  O16  1  0.769  0.093  0.250  1.0
  O  O17  1  0.269  0.407  0.750  1.0
  O  O18  1  0.731  0.594  0.250  1.0
  O  O19  1  0.231  0.907  0.750  1.0
  O  O20  1  0.248  0.149  0.021  1.0
  O  O21  1  0.248  0.149  0.479  1.0
  O  O22  1  0.748  0.351  0.521  1.0
  O  O23  1  0.748  0.351  0.979  1.0
  O  O24  1  0.252  0.649  0.021  1.0
  O  O25  1  0.252  0.649  0.479  1.0
  O  O26  1  0.752  0.851  0.521  1.0
  O  O27  1  0.752  0.851  0.979  1.0
[/CIF]
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The crystal structure described by Mn2AlO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with two equivalent Al(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Al(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Al(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-57°. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-70°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Al(1) atom. In the second O site, O(2) is bonded to one Mn(2), two equivalent Mn(1), and one Al(1) atom to form distorted corner-sharing OMn3Al trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.967
_cell_length_b   10.420
_cell_length_c   6.294
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.718
_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  0.500  0.500  1.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.970  0.278  0.250  1.0
  Mn  Mn3  1  0.030  0.722  0.750  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.469  0.222  0.750  1.0
  Mn  Mn7  1  0.531  0.778  0.250  1.0
  Al  Al8  1  0.421  0.089  0.250  1.0
  Al  Al9  1  0.921  0.411  0.750  1.0
  Al  Al10  1  0.079  0.589  0.250  1.0
  Al  Al11  1  0.578  0.911  0.750  1.0
  O  O12  1  0.756  0.064  0.750  1.0
  O  O13  1  0.256  0.436  0.250  1.0
  O  O14  1  0.744  0.564  0.750  1.0
  O  O15  1  0.244  0.936  0.250  1.0
  O  O16  1  0.769  0.093  0.250  1.0
  O  O17  1  0.269  0.407  0.750  1.0
  O  O18  1  0.731  0.594  0.250  1.0
  O  O19  1  0.231  0.907  0.750  1.0
  O  O20  1  0.248  0.149  0.021  1.0
  O  O21  1  0.248  0.149  0.479  1.0
  O  O22  1  0.748  0.351  0.521  1.0
  O  O23  1  0.748  0.351  0.979  1.0
  O  O24  1  0.252  0.649  0.021  1.0
  O  O25  1  0.252  0.649  0.479  1.0
  O  O26  1  0.752  0.851  0.521  1.0
  O  O27  1  0.752  0.851  0.979  1.0
[/CIF]
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