The crystal structure described by Li4V3FeO10 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. Fe(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Fe(1) atom to form OLi2VFe tetrahedra that share corners with six equivalent O(1)Li2VFe tetrahedra, corners with two equivalent O(3)Li2V2 trigonal pyramids, and edges with two equivalent O(3)Li2V2 trigonal pyramids. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and one V(2) atom to form distorted OLi2V2 trigonal pyramids that share corners with two equivalent O(1)Li2VFe tetrahedra, corners with six equivalent O(3)Li2V2 trigonal pyramids, and edges with two equivalent O(1)Li2VFe tetrahedra. is represented by the CIF file [CIF]
data_Li4V3FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.696
_cell_length_b   6.696
_cell_length_c   4.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.661
_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  0.011  0.989  0.000  1.0
  Li  Li1  1  0.011  0.511  0.000  1.0
  Li  Li2  1  0.489  0.511  0.000  1.0
  Li  Li3  1  0.489  0.989  0.000  1.0
  V  V4  1  0.250  0.250  0.605  1.0
  V  V5  1  0.750  0.750  0.395  1.0
  V  V6  1  0.750  0.250  0.500  1.0
  Fe  Fe7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.021  0.750  0.257  1.0
  O  O9  1  0.250  0.250  0.242  1.0
  O  O10  1  0.250  0.521  0.743  1.0
  O  O11  1  0.250  0.979  0.743  1.0
  O  O12  1  0.479  0.750  0.257  1.0
  O  O13  1  0.542  0.250  0.726  1.0
  O  O14  1  0.750  0.042  0.274  1.0
  O  O15  1  0.750  0.458  0.274  1.0
  O  O16  1  0.750  0.750  0.758  1.0
  O  O17  1  0.958  0.250  0.726  1.0
[/CIF]
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The crystal structure described by Li4V3FeO10 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. Fe(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Fe(1) atom to form OLi2VFe tetrahedra that share corners with six equivalent O(1)Li2VFe tetrahedra, corners with two equivalent O(3)Li2V2 trigonal pyramids, and edges with two equivalent O(3)Li2V2 trigonal pyramids. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and one V(2) atom to form distorted OLi2V2 trigonal pyramids that share corners with two equivalent O(1)Li2VFe tetrahedra, corners with six equivalent O(3)Li2V2 trigonal pyramids, and edges with two equivalent O(1)Li2VFe tetrahedra. is represented by the CIF file [CIF]
data_Li4V3FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.696
_cell_length_b   6.696
_cell_length_c   4.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.661
_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  0.011  0.989  0.000  1.0
  Li  Li1  1  0.011  0.511  0.000  1.0
  Li  Li2  1  0.489  0.511  0.000  1.0
  Li  Li3  1  0.489  0.989  0.000  1.0
  V  V4  1  0.250  0.250  0.605  1.0
  V  V5  1  0.750  0.750  0.395  1.0
  V  V6  1  0.750  0.250  0.500  1.0
  Fe  Fe7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.021  0.750  0.257  1.0
  O  O9  1  0.250  0.250  0.242  1.0
  O  O10  1  0.250  0.521  0.743  1.0
  O  O11  1  0.250  0.979  0.743  1.0
  O  O12  1  0.479  0.750  0.257  1.0
  O  O13  1  0.542  0.250  0.726  1.0
  O  O14  1  0.750  0.042  0.274  1.0
  O  O15  1  0.750  0.458  0.274  1.0
  O  O16  1  0.750  0.750  0.758  1.0
  O  O17  1  0.958  0.250  0.726  1.0
[/CIF]
.