The compound described by LiMgAl(MoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(10), one O(11), one O(12), and two equivalent O(7) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mg(1) is bonded to one O(3), one O(5), one O(6), one O(9), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with four equivalent Mo(3)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(12), one O(2), one O(7), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-51°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-54°. In the third Mo site, Mo(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-58°. Al(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one Al(1) atom. In the second O site, O(12) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(3) and one Al(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Al(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(3) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one Mo(3) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(3) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(2) atom. In the ninth O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mo(1), and one Al(1) atom. In the tenth O site, O(8) is bonded in a linear geometry to one Mo(2) and one Al(1) atom. In the eleventh O site, O(9) is bonded in a linear geometry to one Mg(1) and one Mo(1) atom. In the twelfth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_LiMgAl(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.799
_cell_length_b   6.884
_cell_length_c   11.531
_cell_angle_alpha   77.675
_cell_angle_beta   85.948
_cell_angle_gamma   78.139
_symmetry_Int_Tables_number   1
_cell_volume   515.799
_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
  Li  Li0  1  0.675  0.437  0.587  1.0
  Li  Li1  1  0.325  0.563  0.413  1.0
  Mg  Mg2  1  0.699  0.841  0.978  1.0
  Mg  Mg3  1  0.301  0.159  0.022  1.0
  Al  Al4  1  0.303  0.770  0.628  1.0
  Al  Al5  1  0.697  0.230  0.372  1.0
  Mo  Mo6  1  0.202  0.287  0.686  1.0
  Mo  Mo7  1  0.798  0.713  0.314  1.0
  Mo  Mo8  1  0.750  0.906  0.644  1.0
  Mo  Mo9  1  0.250  0.094  0.356  1.0
  Mo  Mo10  1  0.744  0.302  0.054  1.0
  Mo  Mo11  1  0.256  0.698  0.946  1.0
  O  O12  1  0.682  0.312  0.209  1.0
  O  O13  1  0.318  0.688  0.791  1.0
  O  O14  1  0.285  0.050  0.634  1.0
  O  O15  1  0.715  0.950  0.366  1.0
  O  O16  1  0.703  0.549  0.961  1.0
  O  O17  1  0.297  0.451  0.039  1.0
  O  O18  1  0.612  0.137  0.999  1.0
  O  O19  1  0.388  0.863  0.001  1.0
  O  O20  1  0.000  0.193  0.046  1.0
  O  O21  1  1.000  0.807  0.954  1.0
  O  O22  1  0.687  0.948  0.788  1.0
  O  O23  1  0.313  0.052  0.212  1.0
  O  O24  1  0.332  0.493  0.604  1.0
  O  O25  1  0.668  0.507  0.396  1.0
  O  O26  1  0.013  0.801  0.635  1.0
  O  O27  1  0.987  0.199  0.365  1.0
  O  O28  1  0.250  0.243  0.838  1.0
  O  O29  1  0.750  0.757  0.162  1.0
  O  O30  1  0.598  0.732  0.615  1.0
  O  O31  1  0.402  0.268  0.385  1.0
  O  O32  1  0.701  0.152  0.542  1.0
  O  O33  1  0.299  0.848  0.458  1.0
  O  O34  1  0.941  0.360  0.668  1.0
  O  O35  1  0.059  0.640  0.332  1.0
[/CIF]
.
The compound described by LiMgAl(MoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(10), one O(11), one O(12), and two equivalent O(7) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mg(1) is bonded to one O(3), one O(5), one O(6), one O(9), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with four equivalent Mo(3)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(12), one O(2), one O(7), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-51°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-54°. In the third Mo site, Mo(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-58°. Al(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one Al(1) atom. In the second O site, O(12) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(3) and one Al(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Al(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(3) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one Mo(3) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(3) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(2) atom. In the ninth O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mo(1), and one Al(1) atom. In the tenth O site, O(8) is bonded in a linear geometry to one Mo(2) and one Al(1) atom. In the eleventh O site, O(9) is bonded in a linear geometry to one Mg(1) and one Mo(1) atom. In the twelfth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_LiMgAl(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.799
_cell_length_b   6.884
_cell_length_c   11.531
_cell_angle_alpha   77.675
_cell_angle_beta   85.948
_cell_angle_gamma   78.139
_symmetry_Int_Tables_number   1
_cell_volume   515.799
_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
  Li  Li0  1  0.675  0.437  0.587  1.0
  Li  Li1  1  0.325  0.563  0.413  1.0
  Mg  Mg2  1  0.699  0.841  0.978  1.0
  Mg  Mg3  1  0.301  0.159  0.022  1.0
  Al  Al4  1  0.303  0.770  0.628  1.0
  Al  Al5  1  0.697  0.230  0.372  1.0
  Mo  Mo6  1  0.202  0.287  0.686  1.0
  Mo  Mo7  1  0.798  0.713  0.314  1.0
  Mo  Mo8  1  0.750  0.906  0.644  1.0
  Mo  Mo9  1  0.250  0.094  0.356  1.0
  Mo  Mo10  1  0.744  0.302  0.054  1.0
  Mo  Mo11  1  0.256  0.698  0.946  1.0
  O  O12  1  0.682  0.312  0.209  1.0
  O  O13  1  0.318  0.688  0.791  1.0
  O  O14  1  0.285  0.050  0.634  1.0
  O  O15  1  0.715  0.950  0.366  1.0
  O  O16  1  0.703  0.549  0.961  1.0
  O  O17  1  0.297  0.451  0.039  1.0
  O  O18  1  0.612  0.137  0.999  1.0
  O  O19  1  0.388  0.863  0.001  1.0
  O  O20  1  0.000  0.193  0.046  1.0
  O  O21  1  1.000  0.807  0.954  1.0
  O  O22  1  0.687  0.948  0.788  1.0
  O  O23  1  0.313  0.052  0.212  1.0
  O  O24  1  0.332  0.493  0.604  1.0
  O  O25  1  0.668  0.507  0.396  1.0
  O  O26  1  0.013  0.801  0.635  1.0
  O  O27  1  0.987  0.199  0.365  1.0
  O  O28  1  0.250  0.243  0.838  1.0
  O  O29  1  0.750  0.757  0.162  1.0
  O  O30  1  0.598  0.732  0.615  1.0
  O  O31  1  0.402  0.268  0.385  1.0
  O  O32  1  0.701  0.152  0.542  1.0
  O  O33  1  0.299  0.848  0.458  1.0
  O  O34  1  0.941  0.360  0.668  1.0
  O  O35  1  0.059  0.640  0.332  1.0
[/CIF]
.