The material structure described by MnAlO3 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_MnAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.990
_cell_length_c   5.238
_cell_angle_alpha   116.545
_cell_angle_beta   89.174
_cell_angle_gamma   117.595
_symmetry_Int_Tables_number   1
_cell_volume   97.743
_cell_formula_units_Z   2
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  0.354  0.654  0.059  1.0
  Mn  Mn1  1  0.646  0.346  0.941  1.0
  Al  Al2  1  0.149  0.845  0.454  1.0
  Al  Al3  1  0.851  0.155  0.546  1.0
  O  O4  1  0.785  0.975  0.260  1.0
  O  O5  1  0.082  0.568  0.281  1.0
  O  O6  1  0.448  0.241  0.257  1.0
  O  O7  1  0.552  0.759  0.743  1.0
  O  O8  1  0.918  0.432  0.719  1.0
  O  O9  1  0.215  0.025  0.740  1.0
[/CIF]
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The material structure described by MnAlO3 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_MnAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.990
_cell_length_c   5.238
_cell_angle_alpha   116.545
_cell_angle_beta   89.174
_cell_angle_gamma   117.595
_symmetry_Int_Tables_number   1
_cell_volume   97.743
_cell_formula_units_Z   2
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  0.354  0.654  0.059  1.0
  Mn  Mn1  1  0.646  0.346  0.941  1.0
  Al  Al2  1  0.149  0.845  0.454  1.0
  Al  Al3  1  0.851  0.155  0.546  1.0
  O  O4  1  0.785  0.975  0.260  1.0
  O  O5  1  0.082  0.568  0.281  1.0
  O  O6  1  0.448  0.241  0.257  1.0
  O  O7  1  0.552  0.759  0.743  1.0
  O  O8  1  0.918  0.432  0.719  1.0
  O  O9  1  0.215  0.025  0.740  1.0
[/CIF]
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