The material structure described by Li3V3MnO8 crystallizes in the triclinic P-1 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 corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third V site, V(3) 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 six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the sixth V site, V(6) 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 six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Mn(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(5), and one V(6) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid, edges with three equivalent O(3)Li2MnV2 square pyramids, edges with three equivalent O(5)Li2MnV2 square pyramids, and edges with three equivalent O(7)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one V(3), and one V(4) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, edges with three equivalent O(4)Li2MnV2 square pyramids, edges with three equivalent O(6)Li2MnV2 square pyramids, and edges with three equivalent O(8)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(5), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(4)Li2MnV2 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(3)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(1), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(6)Li2MnV2 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one V(3), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(5)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(1), one V(5), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(8)Li2MnV2 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(7)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. is represented by the CIF card [CIF]
data_Li3MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.953
_cell_length_b   5.956
_cell_length_c   5.965
_cell_angle_alpha   119.914
_cell_angle_beta   90.055
_cell_angle_gamma   119.788
_symmetry_Int_Tables_number   1
_cell_volume   150.138
_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  0.500  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  1.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.257  0.486  0.745  1.0
  O  O5  1  0.743  0.514  0.255  1.0
  O  O6  1  0.730  0.986  0.269  1.0
  O  O7  1  0.731  0.989  0.718  1.0
  O  O8  1  0.283  0.541  0.274  1.0
  O  O9  1  0.717  0.459  0.726  1.0
  O  O10  1  0.269  0.011  0.282  1.0
  O  O11  1  0.270  0.014  0.731  1.0
  V  V12  1  0.500  0.500  0.500  1.0
  V  V13  1  0.500  0.500  0.000  1.0
  V  V14  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by Li3V3MnO8 crystallizes in the triclinic P-1 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 corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third V site, V(3) 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 six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the sixth V site, V(6) 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 six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Mn(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(5), and one V(6) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid, edges with three equivalent O(3)Li2MnV2 square pyramids, edges with three equivalent O(5)Li2MnV2 square pyramids, and edges with three equivalent O(7)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one V(3), and one V(4) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, edges with three equivalent O(4)Li2MnV2 square pyramids, edges with three equivalent O(6)Li2MnV2 square pyramids, and edges with three equivalent O(8)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(5), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(4)Li2MnV2 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(3)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(1), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(6)Li2MnV2 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one V(3), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(5)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(1), one V(5), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(8)Li2MnV2 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with three equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(7)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra, edges with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. is represented by the CIF card [CIF]
data_Li3MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.953
_cell_length_b   5.956
_cell_length_c   5.965
_cell_angle_alpha   119.914
_cell_angle_beta   90.055
_cell_angle_gamma   119.788
_symmetry_Int_Tables_number   1
_cell_volume   150.138
_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  0.500  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  1.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.257  0.486  0.745  1.0
  O  O5  1  0.743  0.514  0.255  1.0
  O  O6  1  0.730  0.986  0.269  1.0
  O  O7  1  0.731  0.989  0.718  1.0
  O  O8  1  0.283  0.541  0.274  1.0
  O  O9  1  0.717  0.459  0.726  1.0
  O  O10  1  0.269  0.011  0.282  1.0
  O  O11  1  0.270  0.014  0.731  1.0
  V  V12  1  0.500  0.500  0.500  1.0
  V  V13  1  0.500  0.500  0.000  1.0
  V  V14  1  0.000  0.000  0.500  1.0
[/CIF]
.