The compound described by Li3VO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form a mixture of distorted edge and corner-sharing OLi3V trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form corner-sharing OLi3V tetrahedra. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form a mixture of edge and corner-sharing OLi3V tetrahedra. is represented by the CIF file [CIF]
data_Li3VO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   6.288
_cell_length_c   10.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.875
_cell_formula_units_Z   4
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  0.187  0.996  0.668  1.0
  Li  Li1  1  0.813  0.496  0.332  1.0
  Li  Li2  1  0.313  0.996  0.168  1.0
  Li  Li3  1  0.813  0.004  0.332  1.0
  Li  Li4  1  0.310  0.750  0.922  1.0
  Li  Li5  1  0.190  0.750  0.422  1.0
  Li  Li6  1  0.687  0.004  0.832  1.0
  Li  Li7  1  0.810  0.250  0.578  1.0
  Li  Li8  1  0.687  0.496  0.832  1.0
  Li  Li9  1  0.187  0.504  0.668  1.0
  Li  Li10  1  0.313  0.504  0.168  1.0
  Li  Li11  1  0.690  0.250  0.078  1.0
  V  V12  1  0.182  0.250  0.915  1.0
  V  V13  1  0.818  0.750  0.085  1.0
  V  V14  1  0.682  0.750  0.585  1.0
  V  V15  1  0.318  0.250  0.415  1.0
  O  O16  1  0.707  0.750  0.935  1.0
  O  O17  1  0.340  0.750  0.587  1.0
  O  O18  1  0.206  0.474  0.339  1.0
  O  O19  1  0.206  0.026  0.339  1.0
  O  O20  1  0.207  0.250  0.565  1.0
  O  O21  1  0.706  0.526  0.161  1.0
  O  O22  1  0.794  0.974  0.661  1.0
  O  O23  1  0.706  0.974  0.161  1.0
  O  O24  1  0.293  0.250  0.065  1.0
  O  O25  1  0.793  0.750  0.435  1.0
  O  O26  1  0.294  0.026  0.839  1.0
  O  O27  1  0.794  0.526  0.661  1.0
  O  O28  1  0.660  0.250  0.413  1.0
  O  O29  1  0.160  0.750  0.087  1.0
  O  O30  1  0.840  0.250  0.913  1.0
  O  O31  1  0.294  0.474  0.839  1.0
[/CIF]
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The compound described by Li3VO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form a mixture of distorted edge and corner-sharing OLi3V trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form corner-sharing OLi3V tetrahedra. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form a mixture of edge and corner-sharing OLi3V tetrahedra. is represented by the CIF file [CIF]
data_Li3VO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   6.288
_cell_length_c   10.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.875
_cell_formula_units_Z   4
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  0.187  0.996  0.668  1.0
  Li  Li1  1  0.813  0.496  0.332  1.0
  Li  Li2  1  0.313  0.996  0.168  1.0
  Li  Li3  1  0.813  0.004  0.332  1.0
  Li  Li4  1  0.310  0.750  0.922  1.0
  Li  Li5  1  0.190  0.750  0.422  1.0
  Li  Li6  1  0.687  0.004  0.832  1.0
  Li  Li7  1  0.810  0.250  0.578  1.0
  Li  Li8  1  0.687  0.496  0.832  1.0
  Li  Li9  1  0.187  0.504  0.668  1.0
  Li  Li10  1  0.313  0.504  0.168  1.0
  Li  Li11  1  0.690  0.250  0.078  1.0
  V  V12  1  0.182  0.250  0.915  1.0
  V  V13  1  0.818  0.750  0.085  1.0
  V  V14  1  0.682  0.750  0.585  1.0
  V  V15  1  0.318  0.250  0.415  1.0
  O  O16  1  0.707  0.750  0.935  1.0
  O  O17  1  0.340  0.750  0.587  1.0
  O  O18  1  0.206  0.474  0.339  1.0
  O  O19  1  0.206  0.026  0.339  1.0
  O  O20  1  0.207  0.250  0.565  1.0
  O  O21  1  0.706  0.526  0.161  1.0
  O  O22  1  0.794  0.974  0.661  1.0
  O  O23  1  0.706  0.974  0.161  1.0
  O  O24  1  0.293  0.250  0.065  1.0
  O  O25  1  0.793  0.750  0.435  1.0
  O  O26  1  0.294  0.026  0.839  1.0
  O  O27  1  0.794  0.526  0.661  1.0
  O  O28  1  0.660  0.250  0.413  1.0
  O  O29  1  0.160  0.750  0.087  1.0
  O  O30  1  0.840  0.250  0.913  1.0
  O  O31  1  0.294  0.474  0.839  1.0
[/CIF]
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