The material described by Li3V2(GeO5)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with four equivalent Ge(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ge(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OLi2VGe tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), two equivalent Li(2), and one V(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(GeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   6.561
_cell_length_c   9.280
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.281
_symmetry_Int_Tables_number   1
_cell_volume   399.442
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.758  0.242  0.303  1.0
  V  V7  1  0.742  0.258  0.803  1.0
  V  V8  1  0.242  0.758  0.697  1.0
  V  V9  1  0.258  0.742  0.197  1.0
  Ge  Ge10  1  0.751  0.749  0.250  1.0
  Ge  Ge11  1  0.749  0.751  0.750  1.0
  Ge  Ge12  1  0.249  0.251  0.750  1.0
  Ge  Ge13  1  0.251  0.249  0.250  1.0
  O  O14  1  0.033  0.248  0.864  1.0
  O  O15  1  0.268  0.732  0.376  1.0
  O  O16  1  0.232  0.768  0.876  1.0
  O  O17  1  0.739  0.966  0.364  1.0
  O  O18  1  0.248  0.033  0.136  1.0
  O  O19  1  0.261  0.034  0.636  1.0
  O  O20  1  0.768  0.232  0.124  1.0
  O  O21  1  0.732  0.268  0.624  1.0
  O  O22  1  0.533  0.748  0.636  1.0
  O  O23  1  0.467  0.252  0.364  1.0
  O  O24  1  0.034  0.261  0.364  1.0
  O  O25  1  0.466  0.239  0.864  1.0
  O  O26  1  0.239  0.466  0.136  1.0
  O  O27  1  0.252  0.467  0.636  1.0
  O  O28  1  0.761  0.534  0.864  1.0
  O  O29  1  0.748  0.533  0.364  1.0
  O  O30  1  0.967  0.752  0.136  1.0
  O  O31  1  0.966  0.739  0.636  1.0
  O  O32  1  0.534  0.761  0.136  1.0
  O  O33  1  0.752  0.967  0.864  1.0
[/CIF]
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The material described by Li3V2(GeO5)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with four equivalent Ge(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ge(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OLi2VGe tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), two equivalent Li(2), and one V(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(GeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   6.561
_cell_length_c   9.280
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.281
_symmetry_Int_Tables_number   1
_cell_volume   399.442
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.758  0.242  0.303  1.0
  V  V7  1  0.742  0.258  0.803  1.0
  V  V8  1  0.242  0.758  0.697  1.0
  V  V9  1  0.258  0.742  0.197  1.0
  Ge  Ge10  1  0.751  0.749  0.250  1.0
  Ge  Ge11  1  0.749  0.751  0.750  1.0
  Ge  Ge12  1  0.249  0.251  0.750  1.0
  Ge  Ge13  1  0.251  0.249  0.250  1.0
  O  O14  1  0.033  0.248  0.864  1.0
  O  O15  1  0.268  0.732  0.376  1.0
  O  O16  1  0.232  0.768  0.876  1.0
  O  O17  1  0.739  0.966  0.364  1.0
  O  O18  1  0.248  0.033  0.136  1.0
  O  O19  1  0.261  0.034  0.636  1.0
  O  O20  1  0.768  0.232  0.124  1.0
  O  O21  1  0.732  0.268  0.624  1.0
  O  O22  1  0.533  0.748  0.636  1.0
  O  O23  1  0.467  0.252  0.364  1.0
  O  O24  1  0.034  0.261  0.364  1.0
  O  O25  1  0.466  0.239  0.864  1.0
  O  O26  1  0.239  0.466  0.136  1.0
  O  O27  1  0.252  0.467  0.636  1.0
  O  O28  1  0.761  0.534  0.864  1.0
  O  O29  1  0.748  0.533  0.364  1.0
  O  O30  1  0.967  0.752  0.136  1.0
  O  O31  1  0.966  0.739  0.636  1.0
  O  O32  1  0.534  0.761  0.136  1.0
  O  O33  1  0.752  0.967  0.864  1.0
[/CIF]
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