The material structure described by Li5V3(CoO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one V(2), two equivalent Co(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), one Co(1), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 10-coordinate geometry to two equivalent Li(2), two equivalent V(2), two equivalent Co(1), two equivalent O(1), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to one Li(1), two equivalent Li(2), one V(1), one Co(1), one O(1), one O(2), and one O(4) atom. Co(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one V(1), one V(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one O(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Co(1), one O(3), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one V(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5V3(CoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.228
_cell_length_c   7.920
_cell_angle_alpha   107.281
_cell_angle_beta   102.668
_cell_angle_gamma   100.849
_symmetry_Int_Tables_number   1
_cell_volume   189.167
_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  0.350  0.082  0.422  1.0
  Li  Li1  1  0.834  0.737  0.774  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.166  0.263  0.226  1.0
  Li  Li4  1  0.650  0.918  0.578  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  V  V6  1  0.920  0.128  0.882  1.0
  V  V7  1  0.080  0.872  0.118  1.0
  Co  Co8  1  0.727  0.316  0.680  1.0
  Co  Co9  1  0.273  0.684  0.320  1.0
  O  O10  1  0.307  0.357  0.872  1.0
  O  O11  1  0.430  0.815  0.958  1.0
  O  O12  1  0.044  0.203  0.550  1.0
  O  O13  1  0.801  0.026  0.223  1.0
  O  O14  1  0.138  0.562  0.672  1.0
  O  O15  1  0.862  0.438  0.328  1.0
  O  O16  1  0.199  0.974  0.777  1.0
  O  O17  1  0.956  0.797  0.450  1.0
  O  O18  1  0.570  0.185  0.042  1.0
  O  O19  1  0.693  0.643  0.128  1.0
[/CIF]
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The material structure described by Li5V3(CoO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one V(2), two equivalent Co(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), one Co(1), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 10-coordinate geometry to two equivalent Li(2), two equivalent V(2), two equivalent Co(1), two equivalent O(1), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to one Li(1), two equivalent Li(2), one V(1), one Co(1), one O(1), one O(2), and one O(4) atom. Co(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one V(1), one V(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one O(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Co(1), one O(3), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one V(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5V3(CoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.228
_cell_length_c   7.920
_cell_angle_alpha   107.281
_cell_angle_beta   102.668
_cell_angle_gamma   100.849
_symmetry_Int_Tables_number   1
_cell_volume   189.167
_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  0.350  0.082  0.422  1.0
  Li  Li1  1  0.834  0.737  0.774  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.166  0.263  0.226  1.0
  Li  Li4  1  0.650  0.918  0.578  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  V  V6  1  0.920  0.128  0.882  1.0
  V  V7  1  0.080  0.872  0.118  1.0
  Co  Co8  1  0.727  0.316  0.680  1.0
  Co  Co9  1  0.273  0.684  0.320  1.0
  O  O10  1  0.307  0.357  0.872  1.0
  O  O11  1  0.430  0.815  0.958  1.0
  O  O12  1  0.044  0.203  0.550  1.0
  O  O13  1  0.801  0.026  0.223  1.0
  O  O14  1  0.138  0.562  0.672  1.0
  O  O15  1  0.862  0.438  0.328  1.0
  O  O16  1  0.199  0.974  0.777  1.0
  O  O17  1  0.956  0.797  0.450  1.0
  O  O18  1  0.570  0.185  0.042  1.0
  O  O19  1  0.693  0.643  0.128  1.0
[/CIF]
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