The crystal structure described by LiMnAlO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with six equivalent Al(1)O4 tetrahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with four equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Al(1)O4 tetrahedra, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 tetrahedra that share corners with four equivalent Mn(1)O5 trigonal bipyramids, corners with six equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Al(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(1), and one Al(1) atom to form distorted OLiMn2Al trigonal pyramids that share corners with four equivalent O(3)Li2MnAl2 trigonal bipyramids, corners with six equivalent O(2)LiMn2Al trigonal pyramids,  an edgeedge with one O(3)Li2MnAl2 trigonal bipyramid, and  an edgeedge with one O(1)LiMn2Al trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one Al(1) atom to form OLiMn2Al trigonal pyramids that share corners with four equivalent O(3)Li2MnAl2 trigonal bipyramids, corners with six equivalent O(1)LiMn2Al trigonal pyramids,  an edgeedge with one O(3)Li2MnAl2 trigonal bipyramid, and  an edgeedge with one O(2)LiMn2Al trigonal pyramid. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Al(1) atoms to form OLi2MnAl2 trigonal bipyramids that share corners with four equivalent O(1)LiMn2Al trigonal pyramids, corners with four equivalent O(2)LiMn2Al trigonal pyramids, edges with two equivalent O(3)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(1)LiMn2Al trigonal pyramid, and  an edgeedge with one O(2)LiMn2Al trigonal pyramid. is represented by the CIF card [CIF]
data_LiMnAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.773
_cell_length_b   5.782
_cell_length_c   5.802
_cell_angle_alpha   90.856
_cell_angle_beta   119.271
_cell_angle_gamma   119.446
_symmetry_Int_Tables_number   1
_cell_volume   138.553
_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
  Al  Al0  1  0.954  0.772  0.882  1.0
  Al  Al1  1  0.046  0.228  0.118  1.0
  Li  Li2  1  0.376  0.072  0.611  1.0
  Li  Li3  1  0.624  0.928  0.389  1.0
  Mn  Mn4  1  0.686  0.435  0.250  1.0
  Mn  Mn5  1  0.314  0.565  0.750  1.0
  O  O6  1  0.055  0.758  0.645  1.0
  O  O7  1  0.945  0.242  0.355  1.0
  O  O8  1  0.666  0.452  0.878  1.0
  O  O9  1  0.334  0.548  0.122  1.0
  O  O10  1  0.269  0.053  0.219  1.0
  O  O11  1  0.731  0.947  0.781  1.0
[/CIF]
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The crystal structure described by LiMnAlO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with six equivalent Al(1)O4 tetrahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with four equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Al(1)O4 tetrahedra, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 tetrahedra that share corners with four equivalent Mn(1)O5 trigonal bipyramids, corners with six equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Al(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(1), and one Al(1) atom to form distorted OLiMn2Al trigonal pyramids that share corners with four equivalent O(3)Li2MnAl2 trigonal bipyramids, corners with six equivalent O(2)LiMn2Al trigonal pyramids,  an edgeedge with one O(3)Li2MnAl2 trigonal bipyramid, and  an edgeedge with one O(1)LiMn2Al trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one Al(1) atom to form OLiMn2Al trigonal pyramids that share corners with four equivalent O(3)Li2MnAl2 trigonal bipyramids, corners with six equivalent O(1)LiMn2Al trigonal pyramids,  an edgeedge with one O(3)Li2MnAl2 trigonal bipyramid, and  an edgeedge with one O(2)LiMn2Al trigonal pyramid. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Al(1) atoms to form OLi2MnAl2 trigonal bipyramids that share corners with four equivalent O(1)LiMn2Al trigonal pyramids, corners with four equivalent O(2)LiMn2Al trigonal pyramids, edges with two equivalent O(3)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(1)LiMn2Al trigonal pyramid, and  an edgeedge with one O(2)LiMn2Al trigonal pyramid. is represented by the CIF card [CIF]
data_LiMnAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.773
_cell_length_b   5.782
_cell_length_c   5.802
_cell_angle_alpha   90.856
_cell_angle_beta   119.271
_cell_angle_gamma   119.446
_symmetry_Int_Tables_number   1
_cell_volume   138.553
_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
  Al  Al0  1  0.954  0.772  0.882  1.0
  Al  Al1  1  0.046  0.228  0.118  1.0
  Li  Li2  1  0.376  0.072  0.611  1.0
  Li  Li3  1  0.624  0.928  0.389  1.0
  Mn  Mn4  1  0.686  0.435  0.250  1.0
  Mn  Mn5  1  0.314  0.565  0.750  1.0
  O  O6  1  0.055  0.758  0.645  1.0
  O  O7  1  0.945  0.242  0.355  1.0
  O  O8  1  0.666  0.452  0.878  1.0
  O  O9  1  0.334  0.548  0.122  1.0
  O  O10  1  0.269  0.053  0.219  1.0
  O  O11  1  0.731  0.947  0.781  1.0
[/CIF]
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