The structure described by LiMg6AlO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Al(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Al(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Al(1) atom to form OMg5Al octahedra that share corners with six equivalent O(1)Mg5Al octahedra, edges with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(2)LiMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), one Mg(2), and four equivalent Mg(3) atoms to form OLiMg5 octahedra that share corners with six equivalent O(2)LiMg5 octahedra, edges with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Mg(3), and two equivalent Al(1) atoms to form OLi2Mg2Al2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(2)LiMg5 octahedra, and edges with four equivalent O(1)Mg5Al octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Li2Mg2Al2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)LiMg5 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiMg6AlO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.496
_cell_length_b   4.173
_cell_length_c   4.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.965
_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
  Li  Li0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.243  0.000  0.500  1.0
  Mg  Mg4  1  0.757  0.000  0.500  1.0
  Mg  Mg5  1  0.243  0.500  0.000  1.0
  Mg  Mg6  1  0.757  0.500  0.000  1.0
  Al  Al7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.227  0.000  0.000  1.0
  O  O9  1  0.773  0.000  0.000  1.0
  O  O10  1  0.258  0.500  0.500  1.0
  O  O11  1  0.742  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by LiMg6AlO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Al(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Al(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one Al(1) atom to form OMg5Al octahedra that share corners with six equivalent O(1)Mg5Al octahedra, edges with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(2)LiMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), one Mg(2), and four equivalent Mg(3) atoms to form OLiMg5 octahedra that share corners with six equivalent O(2)LiMg5 octahedra, edges with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Mg(3), and two equivalent Al(1) atoms to form OLi2Mg2Al2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(3)Li2Mg2Al2 octahedra, edges with four equivalent O(2)LiMg5 octahedra, and edges with four equivalent O(1)Mg5Al octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Li2Mg2Al2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)LiMg5 octahedra, edges with four equivalent O(1)Mg5Al octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiMg6AlO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.496
_cell_length_b   4.173
_cell_length_c   4.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.965
_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
  Li  Li0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.243  0.000  0.500  1.0
  Mg  Mg4  1  0.757  0.000  0.500  1.0
  Mg  Mg5  1  0.243  0.500  0.000  1.0
  Mg  Mg6  1  0.757  0.500  0.000  1.0
  Al  Al7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.227  0.000  0.000  1.0
  O  O9  1  0.773  0.000  0.000  1.0
  O  O10  1  0.258  0.500  0.500  1.0
  O  O11  1  0.742  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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