The structure described by Li5V2Mn5O12 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Mn(2), and one Mn(4) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(1)Li3Mn2V octahedra, and edges with four equivalent O(3)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one V(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(2)Li2Mn3V octahedra, and edges with four equivalent O(4)Li2Mn3V octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Mn(2), and one Mn(4) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra, edges with four equivalent O(3)Li3Mn2V octahedra, and edges with four equivalent O(5)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(4)Li2Mn3V octahedra, and edges with four equivalent O(6)Li2Mn3V octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Mn(2), and one Mn(4) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra, edges with four equivalent O(1)Li3Mn2V octahedra, and edges with four equivalent O(5)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(2)Li2Mn3V octahedra, and edges with four equivalent O(6)Li2Mn3V octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn5V2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   5.247
_cell_length_c   9.959
_cell_angle_alpha   85.532
_cell_angle_beta   85.532
_cell_angle_gamma   120.117
_symmetry_Int_Tables_number   1
_cell_volume   234.279
_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  0.834  0.662  0.254  1.0
  Li  Li1  1  0.676  0.847  0.746  1.0
  Li  Li2  1  0.338  0.166  0.746  1.0
  Li  Li3  1  0.153  0.324  0.254  1.0
  Li  Li4  1  0.085  0.915  0.500  1.0
  Mn  Mn5  1  0.921  0.079  0.000  1.0
  Mn  Mn6  1  0.001  0.506  0.747  1.0
  Mn  Mn7  1  0.494  0.999  0.253  1.0
  Mn  Mn8  1  0.576  0.424  0.000  1.0
  Mn  Mn9  1  0.424  0.576  0.500  1.0
  V  V10  1  0.752  0.248  0.500  1.0
  V  V11  1  0.249  0.751  0.000  1.0
  O  O12  1  0.034  0.232  0.625  1.0
  O  O13  1  0.768  0.966  0.375  1.0
  O  O14  1  0.893  0.397  0.117  1.0
  O  O15  1  0.603  0.107  0.883  1.0
  O  O16  1  0.725  0.528  0.623  1.0
  O  O17  1  0.472  0.275  0.377  1.0
  O  O18  1  0.529  0.722  0.129  1.0
  O  O19  1  0.278  0.471  0.871  1.0
  O  O20  1  0.421  0.913  0.611  1.0
  O  O21  1  0.087  0.579  0.389  1.0
  O  O22  1  0.218  0.032  0.130  1.0
  O  O23  1  0.968  0.782  0.870  1.0
[/CIF]
.
The structure described by Li5V2Mn5O12 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Mn(2), and one Mn(4) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(1)Li3Mn2V octahedra, and edges with four equivalent O(3)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one V(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(2)Li2Mn3V octahedra, and edges with four equivalent O(4)Li2Mn3V octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Mn(2), and one Mn(4) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra, edges with four equivalent O(3)Li3Mn2V octahedra, and edges with four equivalent O(5)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(4)Li2Mn3V octahedra, and edges with four equivalent O(6)Li2Mn3V octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one Mn(2), and one Mn(4) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(2)Li2Mn3V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(6)Li2Mn3V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra, edges with four equivalent O(1)Li3Mn2V octahedra, and edges with four equivalent O(5)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3V octahedra that share  a cornercorner with one O(2)Li2Mn3V octahedra,  a cornercorner with one O(4)Li2Mn3V octahedra,  a cornercorner with one O(6)Li2Mn3V octahedra,  a cornercorner with one O(1)Li3Mn2V octahedra,  a cornercorner with one O(3)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3Mn2V octahedra,  an edgeedge with one O(4)Li2Mn3V octahedra,  an edgeedge with one O(1)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3Mn2V octahedra,  an edgeedge with one O(5)Li3Mn2V octahedra, edges with four equivalent O(2)Li2Mn3V octahedra, and edges with four equivalent O(6)Li2Mn3V octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn5V2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   5.247
_cell_length_c   9.959
_cell_angle_alpha   85.532
_cell_angle_beta   85.532
_cell_angle_gamma   120.117
_symmetry_Int_Tables_number   1
_cell_volume   234.279
_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  0.834  0.662  0.254  1.0
  Li  Li1  1  0.676  0.847  0.746  1.0
  Li  Li2  1  0.338  0.166  0.746  1.0
  Li  Li3  1  0.153  0.324  0.254  1.0
  Li  Li4  1  0.085  0.915  0.500  1.0
  Mn  Mn5  1  0.921  0.079  0.000  1.0
  Mn  Mn6  1  0.001  0.506  0.747  1.0
  Mn  Mn7  1  0.494  0.999  0.253  1.0
  Mn  Mn8  1  0.576  0.424  0.000  1.0
  Mn  Mn9  1  0.424  0.576  0.500  1.0
  V  V10  1  0.752  0.248  0.500  1.0
  V  V11  1  0.249  0.751  0.000  1.0
  O  O12  1  0.034  0.232  0.625  1.0
  O  O13  1  0.768  0.966  0.375  1.0
  O  O14  1  0.893  0.397  0.117  1.0
  O  O15  1  0.603  0.107  0.883  1.0
  O  O16  1  0.725  0.528  0.623  1.0
  O  O17  1  0.472  0.275  0.377  1.0
  O  O18  1  0.529  0.722  0.129  1.0
  O  O19  1  0.278  0.471  0.871  1.0
  O  O20  1  0.421  0.913  0.611  1.0
  O  O21  1  0.087  0.579  0.389  1.0
  O  O22  1  0.218  0.032  0.130  1.0
  O  O23  1  0.968  0.782  0.870  1.0
[/CIF]
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