The material described by Li2VMnO4 is Caswellsilverite-derived structured and 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(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Li site, Li(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two 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, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four 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 Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Mn site, Mn(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), two equivalent V(1), and one Mn(1) atom to form OLi3MnV2 octahedra that share  a cornercorner with one O(3)Li3MnV2 octahedra,  a cornercorner with one O(5)Li3MnV2 octahedra, corners with two equivalent O(4)Li3Mn2V octahedra, corners with two equivalent O(6)Li3Mn2V octahedra,  an edgeedge with one O(4)Li3Mn2V octahedra,  an edgeedge with one O(6)Li3Mn2V octahedra, edges with two equivalent O(1)Li3MnV2 octahedra, edges with two equivalent O(3)Li3MnV2 octahedra, edges with two equivalent O(5)Li3MnV2 octahedra, and edges with four equivalent O(2)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), one V(1), and two equivalent Mn(1) atoms to form OLi3Mn2V octahedra that share  a cornercorner with one O(4)Li3Mn2V octahedra,  a cornercorner with one O(6)Li3Mn2V octahedra, corners with two equivalent O(3)Li3MnV2 octahedra, corners with two equivalent O(5)Li3MnV2 octahedra,  an edgeedge with one O(3)Li3MnV2 octahedra,  an edgeedge with one O(5)Li3MnV2 octahedra, edges with two equivalent O(2)Li3Mn2V octahedra, edges with two equivalent O(4)Li3Mn2V octahedra, edges with two equivalent O(6)Li3Mn2V octahedra, and edges with four equivalent O(1)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), one V(1), one V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share  a cornercorner with one O(1)Li3MnV2 octahedra,  a cornercorner with one O(3)Li3MnV2 octahedra, corners with two equivalent O(2)Li3Mn2V octahedra, corners with two equivalent O(4)Li3Mn2V octahedra,  an edgeedge with one O(2)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3MnV2 octahedra, edges with two equivalent O(4)Li3Mn2V octahedra, edges with two equivalent O(1)Li3MnV2 octahedra, edges with three equivalent O(6)Li3Mn2V octahedra, and edges with three equivalent O(5)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), one Mn(1), and one Mn(2) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li3Mn2V octahedra,  a cornercorner with one O(4)Li3Mn2V octahedra, corners with two equivalent O(1)Li3MnV2 octahedra, corners with two equivalent O(3)Li3MnV2 octahedra,  an edgeedge with one O(4)Li3Mn2V octahedra,  an edgeedge with one O(1)Li3MnV2 octahedra, edges with two equivalent O(2)Li3Mn2V octahedra, edges with two equivalent O(3)Li3MnV2 octahedra, edges with three equivalent O(6)Li3Mn2V octahedra, and edges with three equivalent O(5)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Mn(2) atom to form OLi3MnV2 octahedra that share  a cornercorner with one O(6)Li3Mn2V octahedra,  a cornercorner with one O(1)Li3MnV2 octahedra, corners with two equivalent O(2)Li3Mn2V octahedra, corners with two equivalent O(5)Li3MnV2 octahedra,  an edgeedge with one O(2)Li3Mn2V octahedra, edges with two equivalent O(1)Li3MnV2 octahedra, edges with three equivalent O(4)Li3Mn2V octahedra, edges with three equivalent O(6)Li3Mn2V octahedra, and edges with three equivalent O(3)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one Mn(1), and one Mn(2) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3MnV2 octahedra, corners with two equivalent O(6)Li3Mn2V octahedra, corners with two equivalent O(1)Li3MnV2 octahedra,  an edgeedge with one O(1)Li3MnV2 octahedra, edges with two equivalent O(2)Li3Mn2V octahedra, edges with three equivalent O(4)Li3Mn2V octahedra, edges with three equivalent O(3)Li3MnV2 octahedra, and edges with three equivalent O(5)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF file [CIF]
data_Li2MnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   6.109
_cell_length_c   7.780
_cell_angle_alpha   98.402
_cell_angle_beta   107.998
_cell_angle_gamma   88.308
_symmetry_Int_Tables_number   1
_cell_volume   229.879
_cell_formula_units_Z   3
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  0.007  0.596  0.839  1.0
  Li  Li1  1  0.003  0.764  0.509  1.0
  Li  Li2  1  0.001  0.085  0.832  1.0
  Li  Li3  1  0.993  0.404  0.161  1.0
  Li  Li4  1  0.999  0.915  0.168  1.0
  Li  Li5  1  0.997  0.236  0.491  1.0
  Mn  Mn6  1  0.494  0.334  0.833  1.0
  Mn  Mn7  1  0.506  0.666  0.167  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  V  V9  1  0.505  0.837  0.832  1.0
  V  V10  1  0.495  0.163  0.168  1.0
  V  V11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.718  0.125  0.988  1.0
  O  O13  1  0.738  0.634  0.006  1.0
  O  O14  1  0.740  0.968  0.335  1.0
  O  O15  1  0.716  0.449  0.324  1.0
  O  O16  1  0.745  0.800  0.671  1.0
  O  O17  1  0.709  0.286  0.655  1.0
  O  O18  1  0.262  0.366  0.994  1.0
  O  O19  1  0.282  0.875  0.012  1.0
  O  O20  1  0.291  0.714  0.345  1.0
  O  O21  1  0.255  0.200  0.329  1.0
  O  O22  1  0.284  0.551  0.676  1.0
  O  O23  1  0.260  0.032  0.665  1.0
[/CIF]
.
The material described by Li2VMnO4 is Caswellsilverite-derived structured and 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(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Li site, Li(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two 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, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four 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 Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Mn site, Mn(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), two equivalent V(1), and one Mn(1) atom to form OLi3MnV2 octahedra that share  a cornercorner with one O(3)Li3MnV2 octahedra,  a cornercorner with one O(5)Li3MnV2 octahedra, corners with two equivalent O(4)Li3Mn2V octahedra, corners with two equivalent O(6)Li3Mn2V octahedra,  an edgeedge with one O(4)Li3Mn2V octahedra,  an edgeedge with one O(6)Li3Mn2V octahedra, edges with two equivalent O(1)Li3MnV2 octahedra, edges with two equivalent O(3)Li3MnV2 octahedra, edges with two equivalent O(5)Li3MnV2 octahedra, and edges with four equivalent O(2)Li3Mn2V octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), one V(1), and two equivalent Mn(1) atoms to form OLi3Mn2V octahedra that share  a cornercorner with one O(4)Li3Mn2V octahedra,  a cornercorner with one O(6)Li3Mn2V octahedra, corners with two equivalent O(3)Li3MnV2 octahedra, corners with two equivalent O(5)Li3MnV2 octahedra,  an edgeedge with one O(3)Li3MnV2 octahedra,  an edgeedge with one O(5)Li3MnV2 octahedra, edges with two equivalent O(2)Li3Mn2V octahedra, edges with two equivalent O(4)Li3Mn2V octahedra, edges with two equivalent O(6)Li3Mn2V octahedra, and edges with four equivalent O(1)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), one V(1), one V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share  a cornercorner with one O(1)Li3MnV2 octahedra,  a cornercorner with one O(3)Li3MnV2 octahedra, corners with two equivalent O(2)Li3Mn2V octahedra, corners with two equivalent O(4)Li3Mn2V octahedra,  an edgeedge with one O(2)Li3Mn2V octahedra,  an edgeedge with one O(3)Li3MnV2 octahedra, edges with two equivalent O(4)Li3Mn2V octahedra, edges with two equivalent O(1)Li3MnV2 octahedra, edges with three equivalent O(6)Li3Mn2V octahedra, and edges with three equivalent O(5)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), one Mn(1), and one Mn(2) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li3Mn2V octahedra,  a cornercorner with one O(4)Li3Mn2V octahedra, corners with two equivalent O(1)Li3MnV2 octahedra, corners with two equivalent O(3)Li3MnV2 octahedra,  an edgeedge with one O(4)Li3Mn2V octahedra,  an edgeedge with one O(1)Li3MnV2 octahedra, edges with two equivalent O(2)Li3Mn2V octahedra, edges with two equivalent O(3)Li3MnV2 octahedra, edges with three equivalent O(6)Li3Mn2V octahedra, and edges with three equivalent O(5)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Mn(2) atom to form OLi3MnV2 octahedra that share  a cornercorner with one O(6)Li3Mn2V octahedra,  a cornercorner with one O(1)Li3MnV2 octahedra, corners with two equivalent O(2)Li3Mn2V octahedra, corners with two equivalent O(5)Li3MnV2 octahedra,  an edgeedge with one O(2)Li3Mn2V octahedra, edges with two equivalent O(1)Li3MnV2 octahedra, edges with three equivalent O(4)Li3Mn2V octahedra, edges with three equivalent O(6)Li3Mn2V octahedra, and edges with three equivalent O(3)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one Mn(1), and one Mn(2) atom to form OLi3Mn2V octahedra that share  a cornercorner with one O(2)Li3Mn2V octahedra,  a cornercorner with one O(5)Li3MnV2 octahedra, corners with two equivalent O(6)Li3Mn2V octahedra, corners with two equivalent O(1)Li3MnV2 octahedra,  an edgeedge with one O(1)Li3MnV2 octahedra, edges with two equivalent O(2)Li3Mn2V octahedra, edges with three equivalent O(4)Li3Mn2V octahedra, edges with three equivalent O(3)Li3MnV2 octahedra, and edges with three equivalent O(5)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF file [CIF]
data_Li2MnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   6.109
_cell_length_c   7.780
_cell_angle_alpha   98.402
_cell_angle_beta   107.998
_cell_angle_gamma   88.308
_symmetry_Int_Tables_number   1
_cell_volume   229.879
_cell_formula_units_Z   3
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  0.007  0.596  0.839  1.0
  Li  Li1  1  0.003  0.764  0.509  1.0
  Li  Li2  1  0.001  0.085  0.832  1.0
  Li  Li3  1  0.993  0.404  0.161  1.0
  Li  Li4  1  0.999  0.915  0.168  1.0
  Li  Li5  1  0.997  0.236  0.491  1.0
  Mn  Mn6  1  0.494  0.334  0.833  1.0
  Mn  Mn7  1  0.506  0.666  0.167  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  V  V9  1  0.505  0.837  0.832  1.0
  V  V10  1  0.495  0.163  0.168  1.0
  V  V11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.718  0.125  0.988  1.0
  O  O13  1  0.738  0.634  0.006  1.0
  O  O14  1  0.740  0.968  0.335  1.0
  O  O15  1  0.716  0.449  0.324  1.0
  O  O16  1  0.745  0.800  0.671  1.0
  O  O17  1  0.709  0.286  0.655  1.0
  O  O18  1  0.262  0.366  0.994  1.0
  O  O19  1  0.282  0.875  0.012  1.0
  O  O20  1  0.291  0.714  0.345  1.0
  O  O21  1  0.255  0.200  0.329  1.0
  O  O22  1  0.284  0.551  0.676  1.0
  O  O23  1  0.260  0.032  0.665  1.0
[/CIF]
.