The material described by Li5V(SiO4)2 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to two equivalent O(1) and two equivalent O(4) 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 Si(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. V(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(2)Li2VSi tetrahedra, corners with four equivalent O(3)Li2VSi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(1)Li3Si tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one Si(1) atom to form distorted OLi2VSi tetrahedra that share corners with two equivalent O(1)Li3Si tetrahedra, corners with four equivalent O(3)Li2VSi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(2)Li2VSi tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(3), one V(1), and one Si(1) atom to form distorted OLi2VSi tetrahedra that share corners with two equivalent O(3)Li2VSi tetrahedra, corners with four equivalent O(2)Li2VSi tetrahedra, corners with four equivalent O(1)Li3Si tetrahedra, and  an edgeedge with one O(4)Li3Si tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(4)Li3Si tetrahedra, corners with four equivalent O(2)Li2VSi tetrahedra, corners with four equivalent O(1)Li3Si tetrahedra, and  an edgeedge with one O(3)Li2VSi tetrahedra. is represented by the CIF card [CIF]
data_Li5V(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   5.281
_cell_length_c   6.316
_cell_angle_alpha   89.585
_cell_angle_beta   89.585
_cell_angle_gamma   91.419
_symmetry_Int_Tables_number   1
_cell_volume   176.075
_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  0.805  0.829  0.264  1.0
  Li  Li1  1  0.698  0.302  0.000  1.0
  Li  Li2  1  0.328  0.672  0.500  1.0
  Li  Li3  1  0.681  0.319  0.500  1.0
  Li  Li4  1  0.171  0.195  0.736  1.0
  V  V5  1  0.322  0.678  0.000  1.0
  Si  Si6  1  0.818  0.831  0.744  1.0
  Si  Si7  1  0.169  0.182  0.256  1.0
  O  O8  1  0.697  0.696  0.537  1.0
  O  O9  1  0.690  0.699  0.966  1.0
  O  O10  1  0.220  0.866  0.242  1.0
  O  O11  1  0.864  0.202  0.250  1.0
  O  O12  1  0.134  0.780  0.758  1.0
  O  O13  1  0.798  0.136  0.750  1.0
  O  O14  1  0.301  0.310  0.034  1.0
  O  O15  1  0.304  0.303  0.463  1.0
[/CIF]
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The material described by Li5V(SiO4)2 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to two equivalent O(1) and two equivalent O(4) 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 Si(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. V(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(2)Li2VSi tetrahedra, corners with four equivalent O(3)Li2VSi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(1)Li3Si tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one Si(1) atom to form distorted OLi2VSi tetrahedra that share corners with two equivalent O(1)Li3Si tetrahedra, corners with four equivalent O(3)Li2VSi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(2)Li2VSi tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(3), one V(1), and one Si(1) atom to form distorted OLi2VSi tetrahedra that share corners with two equivalent O(3)Li2VSi tetrahedra, corners with four equivalent O(2)Li2VSi tetrahedra, corners with four equivalent O(1)Li3Si tetrahedra, and  an edgeedge with one O(4)Li3Si tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(4)Li3Si tetrahedra, corners with four equivalent O(2)Li2VSi tetrahedra, corners with four equivalent O(1)Li3Si tetrahedra, and  an edgeedge with one O(3)Li2VSi tetrahedra. is represented by the CIF card [CIF]
data_Li5V(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   5.281
_cell_length_c   6.316
_cell_angle_alpha   89.585
_cell_angle_beta   89.585
_cell_angle_gamma   91.419
_symmetry_Int_Tables_number   1
_cell_volume   176.075
_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  0.805  0.829  0.264  1.0
  Li  Li1  1  0.698  0.302  0.000  1.0
  Li  Li2  1  0.328  0.672  0.500  1.0
  Li  Li3  1  0.681  0.319  0.500  1.0
  Li  Li4  1  0.171  0.195  0.736  1.0
  V  V5  1  0.322  0.678  0.000  1.0
  Si  Si6  1  0.818  0.831  0.744  1.0
  Si  Si7  1  0.169  0.182  0.256  1.0
  O  O8  1  0.697  0.696  0.537  1.0
  O  O9  1  0.690  0.699  0.966  1.0
  O  O10  1  0.220  0.866  0.242  1.0
  O  O11  1  0.864  0.202  0.250  1.0
  O  O12  1  0.134  0.780  0.758  1.0
  O  O13  1  0.798  0.136  0.750  1.0
  O  O14  1  0.301  0.310  0.034  1.0
  O  O15  1  0.304  0.303  0.463  1.0
[/CIF]
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