The crystal structure described by Li3V4MnO12 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(2) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the third V site, V(3) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. Mn(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent V(4)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(3), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(4), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one V(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(3), one V(4), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li3MnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   6.992
_cell_length_c   7.047
_cell_angle_alpha   96.266
_cell_angle_beta   74.241
_cell_angle_gamma   106.236
_symmetry_Int_Tables_number   1
_cell_volume   265.756
_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  0.732  0.105  0.116  1.0
  Li  Li1  1  0.292  0.252  0.218  1.0
  Li  Li2  1  0.778  0.781  0.768  1.0
  Mn  Mn3  1  0.244  0.906  0.916  1.0
  V  V4  1  0.772  0.201  0.608  1.0
  V  V5  1  0.722  0.606  0.206  1.0
  V  V6  1  0.274  0.387  0.797  1.0
  V  V7  1  0.226  0.809  0.393  1.0
  O  O8  1  0.644  0.014  0.773  1.0
  O  O9  1  0.850  0.782  0.024  1.0
  O  O10  1  0.830  0.108  0.377  1.0
  O  O11  1  0.662  0.370  0.107  1.0
  O  O12  1  0.165  0.216  0.977  1.0
  O  O13  1  0.341  0.979  0.198  1.0
  O  O14  1  0.556  0.349  0.637  1.0
  O  O15  1  0.932  0.634  0.353  1.0
  O  O16  1  0.057  0.357  0.651  1.0
  O  O17  1  0.433  0.635  0.350  1.0
  O  O18  1  0.340  0.623  0.890  1.0
  O  O19  1  0.149  0.887  0.640  1.0
[/CIF]
.
The crystal structure described by Li3V4MnO12 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(2) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the third V site, V(3) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. Mn(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent V(4)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(3), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(4), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one V(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(3), one V(4), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li3MnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   6.992
_cell_length_c   7.047
_cell_angle_alpha   96.266
_cell_angle_beta   74.241
_cell_angle_gamma   106.236
_symmetry_Int_Tables_number   1
_cell_volume   265.756
_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  0.732  0.105  0.116  1.0
  Li  Li1  1  0.292  0.252  0.218  1.0
  Li  Li2  1  0.778  0.781  0.768  1.0
  Mn  Mn3  1  0.244  0.906  0.916  1.0
  V  V4  1  0.772  0.201  0.608  1.0
  V  V5  1  0.722  0.606  0.206  1.0
  V  V6  1  0.274  0.387  0.797  1.0
  V  V7  1  0.226  0.809  0.393  1.0
  O  O8  1  0.644  0.014  0.773  1.0
  O  O9  1  0.850  0.782  0.024  1.0
  O  O10  1  0.830  0.108  0.377  1.0
  O  O11  1  0.662  0.370  0.107  1.0
  O  O12  1  0.165  0.216  0.977  1.0
  O  O13  1  0.341  0.979  0.198  1.0
  O  O14  1  0.556  0.349  0.637  1.0
  O  O15  1  0.932  0.634  0.353  1.0
  O  O16  1  0.057  0.357  0.651  1.0
  O  O17  1  0.433  0.635  0.350  1.0
  O  O18  1  0.340  0.623  0.890  1.0
  O  O19  1  0.149  0.887  0.640  1.0
[/CIF]
.