The material described by Li7VAs4 crystallizes in the monoclinic C2/c space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form LiAs4 tetrahedra that share corners with two equivalent Li(1)As4 tetrahedra, corners with two equivalent Li(2)As4 tetrahedra, corners with two equivalent Li(3)As4 tetrahedra, corners with four equivalent V(1)As4 tetrahedra, corners with six equivalent Li(4)As4 tetrahedra,  an edgeedge with one Li(1)As4 tetrahedra,  an edgeedge with one Li(2)As4 tetrahedra,  an edgeedge with one Li(4)As4 tetrahedra, and edges with three equivalent Li(3)As4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted LiAs4 tetrahedra that share corners with four equivalent Li(1)As4 tetrahedra, corners with four equivalent Li(4)As4 tetrahedra, corners with eight equivalent Li(3)As4 tetrahedra, edges with two equivalent Li(1)As4 tetrahedra, edges with two equivalent Li(4)As4 tetrahedra, and edges with two equivalent V(1)As4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted LiAs4 tetrahedra that share corners with two equivalent Li(1)As4 tetrahedra, corners with two equivalent Li(3)As4 tetrahedra, corners with two equivalent V(1)As4 tetrahedra, corners with four equivalent Li(2)As4 tetrahedra, corners with six equivalent Li(4)As4 tetrahedra,  an edgeedge with one Li(3)As4 tetrahedra,  an edgeedge with one Li(4)As4 tetrahedra,  an edgeedge with one V(1)As4 tetrahedra, and edges with three equivalent Li(1)As4 tetrahedra. In the fourth Li site, Li(4) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted LiAs4 tetrahedra that share corners with two equivalent Li(2)As4 tetrahedra, corners with two equivalent V(1)As4 tetrahedra, corners with six equivalent Li(1)As4 tetrahedra, corners with six equivalent Li(3)As4 tetrahedra,  an edgeedge with one Li(1)As4 tetrahedra,  an edgeedge with one Li(2)As4 tetrahedra,  an edgeedge with one Li(3)As4 tetrahedra,  an edgeedge with one V(1)As4 tetrahedra, and edges with two equivalent Li(4)As4 tetrahedra. V(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form VAs4 tetrahedra that share corners with four equivalent Li(3)As4 tetrahedra, corners with four equivalent Li(4)As4 tetrahedra, corners with eight equivalent Li(1)As4 tetrahedra, edges with two equivalent Li(2)As4 tetrahedra, edges with two equivalent Li(3)As4 tetrahedra, and edges with two equivalent Li(4)As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a body-centered cubic geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), and one V(1) atom. In the second As site, As(2) is bonded in a body-centered cubic geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7VAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.291
_cell_length_b   7.291
_cell_length_c   11.925
_cell_angle_alpha   65.888
_cell_angle_beta   65.888
_cell_angle_gamma   48.819
_symmetry_Int_Tables_number   1
_cell_volume   426.421
_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  0.524  0.976  0.875  1.0
  Li  Li1  1  0.761  0.239  0.750  1.0
  Li  Li2  1  0.012  0.469  0.879  1.0
  Li  Li3  1  0.024  0.476  0.625  1.0
  Li  Li4  1  0.251  0.751  0.493  1.0
  Li  Li5  1  0.531  0.988  0.621  1.0
  Li  Li6  1  0.469  0.012  0.379  1.0
  Li  Li7  1  0.749  0.249  0.507  1.0
  Li  Li8  1  0.976  0.524  0.375  1.0
  Li  Li9  1  0.249  0.749  0.007  1.0
  Li  Li10  1  0.988  0.531  0.121  1.0
  Li  Li11  1  0.476  0.024  0.125  1.0
  Li  Li12  1  0.239  0.761  0.250  1.0
  Li  Li13  1  0.751  0.251  0.993  1.0
  V  V14  1  0.261  0.739  0.750  1.0
  V  V15  1  0.739  0.261  0.250  1.0
  As  As16  1  0.367  0.400  0.923  1.0
  As  As17  1  0.921  0.844  0.694  1.0
  As  As18  1  0.156  0.079  0.806  1.0
  As  As19  1  0.400  0.367  0.423  1.0
  As  As20  1  0.600  0.633  0.577  1.0
  As  As21  1  0.844  0.921  0.194  1.0
  As  As22  1  0.079  0.156  0.306  1.0
  As  As23  1  0.633  0.600  0.077  1.0
[/CIF]
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The material described by Li7VAs4 crystallizes in the monoclinic C2/c space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form LiAs4 tetrahedra that share corners with two equivalent Li(1)As4 tetrahedra, corners with two equivalent Li(2)As4 tetrahedra, corners with two equivalent Li(3)As4 tetrahedra, corners with four equivalent V(1)As4 tetrahedra, corners with six equivalent Li(4)As4 tetrahedra,  an edgeedge with one Li(1)As4 tetrahedra,  an edgeedge with one Li(2)As4 tetrahedra,  an edgeedge with one Li(4)As4 tetrahedra, and edges with three equivalent Li(3)As4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted LiAs4 tetrahedra that share corners with four equivalent Li(1)As4 tetrahedra, corners with four equivalent Li(4)As4 tetrahedra, corners with eight equivalent Li(3)As4 tetrahedra, edges with two equivalent Li(1)As4 tetrahedra, edges with two equivalent Li(4)As4 tetrahedra, and edges with two equivalent V(1)As4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted LiAs4 tetrahedra that share corners with two equivalent Li(1)As4 tetrahedra, corners with two equivalent Li(3)As4 tetrahedra, corners with two equivalent V(1)As4 tetrahedra, corners with four equivalent Li(2)As4 tetrahedra, corners with six equivalent Li(4)As4 tetrahedra,  an edgeedge with one Li(3)As4 tetrahedra,  an edgeedge with one Li(4)As4 tetrahedra,  an edgeedge with one V(1)As4 tetrahedra, and edges with three equivalent Li(1)As4 tetrahedra. In the fourth Li site, Li(4) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted LiAs4 tetrahedra that share corners with two equivalent Li(2)As4 tetrahedra, corners with two equivalent V(1)As4 tetrahedra, corners with six equivalent Li(1)As4 tetrahedra, corners with six equivalent Li(3)As4 tetrahedra,  an edgeedge with one Li(1)As4 tetrahedra,  an edgeedge with one Li(2)As4 tetrahedra,  an edgeedge with one Li(3)As4 tetrahedra,  an edgeedge with one V(1)As4 tetrahedra, and edges with two equivalent Li(4)As4 tetrahedra. V(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form VAs4 tetrahedra that share corners with four equivalent Li(3)As4 tetrahedra, corners with four equivalent Li(4)As4 tetrahedra, corners with eight equivalent Li(1)As4 tetrahedra, edges with two equivalent Li(2)As4 tetrahedra, edges with two equivalent Li(3)As4 tetrahedra, and edges with two equivalent Li(4)As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a body-centered cubic geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), and one V(1) atom. In the second As site, As(2) is bonded in a body-centered cubic geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7VAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.291
_cell_length_b   7.291
_cell_length_c   11.925
_cell_angle_alpha   65.888
_cell_angle_beta   65.888
_cell_angle_gamma   48.819
_symmetry_Int_Tables_number   1
_cell_volume   426.421
_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  0.524  0.976  0.875  1.0
  Li  Li1  1  0.761  0.239  0.750  1.0
  Li  Li2  1  0.012  0.469  0.879  1.0
  Li  Li3  1  0.024  0.476  0.625  1.0
  Li  Li4  1  0.251  0.751  0.493  1.0
  Li  Li5  1  0.531  0.988  0.621  1.0
  Li  Li6  1  0.469  0.012  0.379  1.0
  Li  Li7  1  0.749  0.249  0.507  1.0
  Li  Li8  1  0.976  0.524  0.375  1.0
  Li  Li9  1  0.249  0.749  0.007  1.0
  Li  Li10  1  0.988  0.531  0.121  1.0
  Li  Li11  1  0.476  0.024  0.125  1.0
  Li  Li12  1  0.239  0.761  0.250  1.0
  Li  Li13  1  0.751  0.251  0.993  1.0
  V  V14  1  0.261  0.739  0.750  1.0
  V  V15  1  0.739  0.261  0.250  1.0
  As  As16  1  0.367  0.400  0.923  1.0
  As  As17  1  0.921  0.844  0.694  1.0
  As  As18  1  0.156  0.079  0.806  1.0
  As  As19  1  0.400  0.367  0.423  1.0
  As  As20  1  0.600  0.633  0.577  1.0
  As  As21  1  0.844  0.921  0.194  1.0
  As  As22  1  0.079  0.156  0.306  1.0
  As  As23  1  0.633  0.600  0.077  1.0
[/CIF]
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