The crystal structure described by Li3Mo2Al(AsO7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-33°. Mo(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-33°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. As(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Al(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Al(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(2) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mo(1), and one Al(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mo(1), and one As(1) atom to form distorted corner-sharing OLi2MoAs tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mo(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Li(1), one Li(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Li3AlMo2(AsO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.491
_cell_length_c   9.586
_cell_angle_alpha   96.314
_cell_angle_beta   102.344
_cell_angle_gamma   105.170
_symmetry_Int_Tables_number   1
_cell_volume   258.084
_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  0.194  0.387  0.848  1.0
  Li  Li1  1  0.806  0.613  0.152  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Mo  Mo4  1  0.495  0.839  0.354  1.0
  Mo  Mo5  1  0.505  0.161  0.646  1.0
  As  As6  1  0.150  0.232  0.175  1.0
  As  As7  1  0.850  0.768  0.825  1.0
  O  O8  1  0.583  0.708  0.906  1.0
  O  O9  1  0.137  0.792  0.957  1.0
  O  O10  1  0.417  0.292  0.094  1.0
  O  O11  1  0.325  0.837  0.536  1.0
  O  O12  1  0.561  0.870  0.177  1.0
  O  O13  1  0.863  0.208  0.043  1.0
  O  O14  1  0.161  0.511  0.288  1.0
  O  O15  1  0.867  0.020  0.735  1.0
  O  O16  1  0.280  0.334  0.591  1.0
  O  O17  1  0.839  0.489  0.712  1.0
  O  O18  1  0.439  0.130  0.823  1.0
  O  O19  1  0.720  0.666  0.409  1.0
  O  O20  1  0.675  0.163  0.464  1.0
  O  O21  1  0.133  0.980  0.265  1.0
[/CIF]
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The crystal structure described by Li3Mo2Al(AsO7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-33°. Mo(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-33°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. As(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Al(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Al(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(2) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mo(1), and one Al(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mo(1), and one As(1) atom to form distorted corner-sharing OLi2MoAs tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mo(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Li(1), one Li(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Li3AlMo2(AsO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.491
_cell_length_c   9.586
_cell_angle_alpha   96.314
_cell_angle_beta   102.344
_cell_angle_gamma   105.170
_symmetry_Int_Tables_number   1
_cell_volume   258.084
_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  0.194  0.387  0.848  1.0
  Li  Li1  1  0.806  0.613  0.152  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Mo  Mo4  1  0.495  0.839  0.354  1.0
  Mo  Mo5  1  0.505  0.161  0.646  1.0
  As  As6  1  0.150  0.232  0.175  1.0
  As  As7  1  0.850  0.768  0.825  1.0
  O  O8  1  0.583  0.708  0.906  1.0
  O  O9  1  0.137  0.792  0.957  1.0
  O  O10  1  0.417  0.292  0.094  1.0
  O  O11  1  0.325  0.837  0.536  1.0
  O  O12  1  0.561  0.870  0.177  1.0
  O  O13  1  0.863  0.208  0.043  1.0
  O  O14  1  0.161  0.511  0.288  1.0
  O  O15  1  0.867  0.020  0.735  1.0
  O  O16  1  0.280  0.334  0.591  1.0
  O  O17  1  0.839  0.489  0.712  1.0
  O  O18  1  0.439  0.130  0.823  1.0
  O  O19  1  0.720  0.666  0.409  1.0
  O  O20  1  0.675  0.163  0.464  1.0
  O  O21  1  0.133  0.980  0.265  1.0
[/CIF]
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