The compound described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OLiMnV2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OLiMnV2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.897
_cell_length_b   6.059
_cell_length_c   6.119
_cell_angle_alpha   57.448
_cell_angle_beta   59.527
_cell_angle_gamma   61.295
_symmetry_Int_Tables_number   1
_cell_volume   152.231
_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  0.141  0.115  0.114  1.0
  Li  Li1  1  0.859  0.885  0.886  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  V  V3  1  1.000  0.500  0.500  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.266  0.266  0.255  1.0
  O  O7  1  0.271  0.254  0.705  1.0
  O  O8  1  0.285  0.705  0.248  1.0
  O  O9  1  0.723  0.238  0.252  1.0
  O  O10  1  0.277  0.762  0.748  1.0
  O  O11  1  0.715  0.295  0.752  1.0
  O  O12  1  0.729  0.746  0.295  1.0
  O  O13  1  0.734  0.734  0.745  1.0
[/CIF]
.
The compound described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OLiMnV2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OLiMnV2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.897
_cell_length_b   6.059
_cell_length_c   6.119
_cell_angle_alpha   57.448
_cell_angle_beta   59.527
_cell_angle_gamma   61.295
_symmetry_Int_Tables_number   1
_cell_volume   152.231
_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  0.141  0.115  0.114  1.0
  Li  Li1  1  0.859  0.885  0.886  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  V  V3  1  1.000  0.500  0.500  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.266  0.266  0.255  1.0
  O  O7  1  0.271  0.254  0.705  1.0
  O  O8  1  0.285  0.705  0.248  1.0
  O  O9  1  0.723  0.238  0.252  1.0
  O  O10  1  0.277  0.762  0.748  1.0
  O  O11  1  0.715  0.295  0.752  1.0
  O  O12  1  0.729  0.746  0.295  1.0
  O  O13  1  0.734  0.734  0.745  1.0
[/CIF]
.