The compound described by LiVMnP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(19), one O(2), one O(3), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(20), one O(23), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the third Li site, Li(3) is bonded to one O(12), one O(25), one O(28), one O(29), and one O(30) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(14), one O(15), one O(26), one O(29), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-48°. In the second V site, V(2) is bonded to one O(16), one O(17), one O(18), one O(2), one O(23), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the third V site, V(3) is bonded to one O(24), one O(25), one O(27), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-45°. In the second Mn site, Mn(2) is bonded to one O(20), one O(22), one O(23), one O(27), one O(28), and one O(30) atom to form MnO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-50°. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(19), one O(2), one O(21), and one O(29) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-50°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(30), one O(5), and one O(9) atom to form PO4 tetrahedra that share  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(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-52°. In the second P site, P(2) is bonded to one O(12), one O(16), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-53°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(18), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-53°. In the fourth P site, P(4) is bonded to one O(13), one O(20), one O(21), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-53°. In the fifth P site, P(5) is bonded to one O(15), one O(19), one O(25), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-53°. In the sixth P site, P(6) is bonded to one O(1), one O(17), one O(22), and one O(26) atom to form PO4 tetrahedra that share  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(2)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-53°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(23) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(27) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(29) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one V(2), one Mn(3), and one H(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(3), one Mn(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one H(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Li(2), one V(2), one Mn(2), and one H(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(3), one V(3), and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one V(3), one Mn(2), and one H(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(2), and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one Mn(3), and one H(6) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   8.118
_cell_length_c   10.112
_cell_angle_alpha   111.234
_cell_angle_beta   103.401
_cell_angle_gamma   94.725
_symmetry_Int_Tables_number   1
_cell_volume   537.970
_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  0.011  0.766  0.163  1.0
  Li  Li1  1  0.656  0.569  0.504  1.0
  Li  Li2  1  0.988  0.234  0.837  1.0
  Mn  Mn3  1  0.335  0.668  0.334  1.0
  Mn  Mn4  1  0.660  0.333  0.666  1.0
  Mn  Mn5  1  0.002  0.002  0.001  1.0
  V  V6  1  0.173  0.834  0.666  1.0
  V  V7  1  0.832  0.166  0.333  1.0
  V  V8  1  0.499  0.499  1.000  1.0
  P  P9  1  0.758  0.924  0.525  1.0
  P  P10  1  0.913  0.410  0.141  1.0
  P  P11  1  0.422  0.258  0.193  1.0
  P  P12  1  0.583  0.744  0.808  1.0
  P  P13  1  0.086  0.590  0.859  1.0
  P  P14  1  0.243  0.077  0.474  1.0
  H  H15  1  0.745  0.898  0.090  1.0
  H  H16  1  0.573  0.777  0.237  1.0
  H  H17  1  0.095  0.556  0.429  1.0
  H  H18  1  0.919  0.436  0.578  1.0
  H  H19  1  0.424  0.223  0.763  1.0
  H  H20  1  0.256  0.102  0.910  1.0
  O  O21  1  0.209  0.900  0.342  1.0
  O  O22  1  0.870  0.976  0.150  1.0
  O  O23  1  0.104  0.537  0.176  1.0
  O  O24  1  0.464  0.675  0.184  1.0
  O  O25  1  0.762  0.952  0.380  1.0
  O  O26  1  0.762  0.529  0.109  1.0
  O  O27  1  0.433  0.289  0.050  1.0
  O  O28  1  0.204  0.658  0.483  1.0
  O  O29  1  0.565  0.803  0.493  1.0
  O  O30  1  0.226  0.144  0.159  1.0
  O  O31  1  0.456  0.434  0.325  1.0
  O  O32  1  0.890  0.239  0.006  1.0
  O  O33  1  0.424  0.855  0.775  1.0
  O  O34  1  0.906  0.804  0.558  1.0
  O  O35  1  0.096  0.625  0.719  1.0
  O  O36  1  0.904  0.377  0.282  1.0
  O  O37  1  0.086  0.188  0.441  1.0
  O  O38  1  0.579  0.146  0.226  1.0
  O  O39  1  0.109  0.762  0.994  1.0
  O  O40  1  0.559  0.574  0.672  1.0
  O  O41  1  0.776  0.864  0.845  1.0
  O  O42  1  0.439  0.189  0.507  1.0
  O  O43  1  0.793  0.357  0.517  1.0
  O  O44  1  0.567  0.707  0.947  1.0
  O  O45  1  0.236  0.472  0.891  1.0
  O  O46  1  0.232  0.045  0.617  1.0
  O  O47  1  0.533  0.324  0.816  1.0
  O  O48  1  0.895  0.463  0.822  1.0
  O  O49  1  0.131  0.024  0.850  1.0
  O  O50  1  0.793  0.101  0.656  1.0
[/CIF]
.
The compound described by LiVMnP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(19), one O(2), one O(3), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(20), one O(23), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the third Li site, Li(3) is bonded to one O(12), one O(25), one O(28), one O(29), and one O(30) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(14), one O(15), one O(26), one O(29), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-48°. In the second V site, V(2) is bonded to one O(16), one O(17), one O(18), one O(2), one O(23), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the third V site, V(3) is bonded to one O(24), one O(25), one O(27), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-45°. In the second Mn site, Mn(2) is bonded to one O(20), one O(22), one O(23), one O(27), one O(28), and one O(30) atom to form MnO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-50°. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(19), one O(2), one O(21), and one O(29) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-50°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(30), one O(5), and one O(9) atom to form PO4 tetrahedra that share  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(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-52°. In the second P site, P(2) is bonded to one O(12), one O(16), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-53°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(18), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-53°. In the fourth P site, P(4) is bonded to one O(13), one O(20), one O(21), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-53°. In the fifth P site, P(5) is bonded to one O(15), one O(19), one O(25), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-53°. In the sixth P site, P(6) is bonded to one O(1), one O(17), one O(22), and one O(26) atom to form PO4 tetrahedra that share  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(2)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-53°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(23) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(27) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(29) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one V(2), one Mn(3), and one H(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(3), one Mn(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one H(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Li(2), one V(2), one Mn(2), and one H(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(3), one V(3), and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one V(3), one Mn(2), and one H(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(2), and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one Mn(3), and one H(6) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   8.118
_cell_length_c   10.112
_cell_angle_alpha   111.234
_cell_angle_beta   103.401
_cell_angle_gamma   94.725
_symmetry_Int_Tables_number   1
_cell_volume   537.970
_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  0.011  0.766  0.163  1.0
  Li  Li1  1  0.656  0.569  0.504  1.0
  Li  Li2  1  0.988  0.234  0.837  1.0
  Mn  Mn3  1  0.335  0.668  0.334  1.0
  Mn  Mn4  1  0.660  0.333  0.666  1.0
  Mn  Mn5  1  0.002  0.002  0.001  1.0
  V  V6  1  0.173  0.834  0.666  1.0
  V  V7  1  0.832  0.166  0.333  1.0
  V  V8  1  0.499  0.499  1.000  1.0
  P  P9  1  0.758  0.924  0.525  1.0
  P  P10  1  0.913  0.410  0.141  1.0
  P  P11  1  0.422  0.258  0.193  1.0
  P  P12  1  0.583  0.744  0.808  1.0
  P  P13  1  0.086  0.590  0.859  1.0
  P  P14  1  0.243  0.077  0.474  1.0
  H  H15  1  0.745  0.898  0.090  1.0
  H  H16  1  0.573  0.777  0.237  1.0
  H  H17  1  0.095  0.556  0.429  1.0
  H  H18  1  0.919  0.436  0.578  1.0
  H  H19  1  0.424  0.223  0.763  1.0
  H  H20  1  0.256  0.102  0.910  1.0
  O  O21  1  0.209  0.900  0.342  1.0
  O  O22  1  0.870  0.976  0.150  1.0
  O  O23  1  0.104  0.537  0.176  1.0
  O  O24  1  0.464  0.675  0.184  1.0
  O  O25  1  0.762  0.952  0.380  1.0
  O  O26  1  0.762  0.529  0.109  1.0
  O  O27  1  0.433  0.289  0.050  1.0
  O  O28  1  0.204  0.658  0.483  1.0
  O  O29  1  0.565  0.803  0.493  1.0
  O  O30  1  0.226  0.144  0.159  1.0
  O  O31  1  0.456  0.434  0.325  1.0
  O  O32  1  0.890  0.239  0.006  1.0
  O  O33  1  0.424  0.855  0.775  1.0
  O  O34  1  0.906  0.804  0.558  1.0
  O  O35  1  0.096  0.625  0.719  1.0
  O  O36  1  0.904  0.377  0.282  1.0
  O  O37  1  0.086  0.188  0.441  1.0
  O  O38  1  0.579  0.146  0.226  1.0
  O  O39  1  0.109  0.762  0.994  1.0
  O  O40  1  0.559  0.574  0.672  1.0
  O  O41  1  0.776  0.864  0.845  1.0
  O  O42  1  0.439  0.189  0.507  1.0
  O  O43  1  0.793  0.357  0.517  1.0
  O  O44  1  0.567  0.707  0.947  1.0
  O  O45  1  0.236  0.472  0.891  1.0
  O  O46  1  0.232  0.045  0.617  1.0
  O  O47  1  0.533  0.324  0.816  1.0
  O  O48  1  0.895  0.463  0.822  1.0
  O  O49  1  0.131  0.024  0.850  1.0
  O  O50  1  0.793  0.101  0.656  1.0
[/CIF]
.