The crystal structure described by Li6VFeP2(CO7)2 crystallizes in the monoclinic Cm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(17), and one O(3) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(13), one O(2), and two equivalent O(18) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(14), and two equivalent O(19) atoms. In the fourth Li site, Li(4) is bonded to one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. In the fifth Li site, Li(5) is bonded to one O(17), one O(3), one O(4), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. In the sixth Li site, Li(6) is bonded to one O(11), one O(12), one O(13), one O(18), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(12), one O(14), and one O(19) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(5), one O(7), and two equivalent O(16) atoms to form distorted VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(7)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), one O(9), and two equivalent O(17) atoms to form distorted VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. Fe(1) is bonded to one O(11), one O(12), one O(15), one O(18), one O(19), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(14), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(13), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(12), one O(15), and one O(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(17), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-62°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(18) atoms to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with four equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. In the third P site, P(3) is bonded to one O(10), one O(7), and two equivalent O(19) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with four equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one C(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), and one C(3) atom to form OLi3C tetrahedra that share  a cornercorner with one O(12)Li2FeC trigonal pyramid,  a cornercorner with one O(4)Li2VC trigonal pyramid,  a cornercorner with one O(5)Li2VC trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(8)Li2FeP tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(5), one V(2), and one C(1) atom to form distorted OLi2VC trigonal pyramids that share  a cornercorner with one O(9)Li2VP tetrahedra,  a cornercorner with one O(14)Li3C tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(6)Li2VP trigonal pyramid, corners with four equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(6)Li2VP trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Li(4), one V(1), and one C(2) atom to form distorted OLi2VC trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(13)Li3C tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with four equivalent O(16)Li2VP trigonal pyramids, and  an edgeedge with one O(7)Li2VP trigonal pyramid. In the sixth O site, O(6) is bonded to two equivalent Li(5), one V(2), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(9)Li2VP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(4)Li2VC trigonal pyramid, corners with two equivalent O(18)Li2FeP trigonal pyramids,  an edgeedge with one O(4)Li2VC trigonal pyramid, and edges with two equivalent O(17)Li2VP trigonal pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(4), one V(1), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(10)Li2VP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(5)Li2VC trigonal pyramid, corners with two equivalent O(19)Li2FeP trigonal pyramids,  an edgeedge with one O(5)Li2VC trigonal pyramid, and edges with two equivalent O(16)Li2VP trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(12)Li2FeC trigonal pyramid,  a cornercorner with one O(18)Li2FeP trigonal pyramid,  a cornercorner with one O(19)Li2FeP trigonal pyramid,  a cornercorner with one O(4)Li2VC trigonal pyramid,  a cornercorner with one O(5)Li2VC trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(3)Li3C tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(6), one V(2), and one P(2) atom to form distorted OLi2VP tetrahedra that share  a cornercorner with one O(4)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(6)Li2VP trigonal pyramids, corners with four equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(13)Li3C tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Li(7), one V(1), and one P(3) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(5)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with four equivalent O(19)Li2FeP trigonal pyramids, and  an edgeedge with one O(14)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to one Li(6), one Li(7), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(9)Li2VP tetrahedra,  a cornercorner with one O(13)Li3C tetrahedra,  a cornercorner with one O(14)Li3C tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra,  a cornercorner with one O(12)Li2FeC trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(17)Li2VP trigonal pyramid,  an edgeedge with one O(12)Li2FeC trigonal pyramid,  an edgeedge with one O(18)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(6), one Li(7), one Fe(1), and one C(3) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(8)Li2FeP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(9)Li2VP tetrahedra,  a cornercorner with one O(13)Li3C tetrahedra,  a cornercorner with one O(14)Li3C tetrahedra,  a cornercorner with one O(3)Li3C tetrahedra,  a cornercorner with one O(11)Li2FeP trigonal pyramid, corners with two equivalent O(18)Li2FeP trigonal pyramids, corners with two equivalent O(19)Li2FeP trigonal pyramids, and  an edgeedge with one O(11)Li2FeP trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(2), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share  a cornercorner with one O(5)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with four equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(9)Li2VP tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), two equivalent Li(7), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(4)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with four equivalent O(19)Li2FeP trigonal pyramids, and  an edgeedge with one O(10)Li2VP tetrahedra. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(3) atom. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(4), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(11)Li2FeP trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid, corners with two equivalent O(5)Li2VC trigonal pyramids,  an edgeedge with one O(17)Li2VP trigonal pyramid, and  an edgeedge with one O(7)Li2VP trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(5), one V(2), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(9)Li2VP tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(11)Li2FeP trigonal pyramid,  a cornercorner with one O(17)Li2VP trigonal pyramid, corners with two equivalent O(4)Li2VC trigonal pyramids,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(6)Li2VP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(6), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(8)Li2FeP tetrahedra, corners with two equivalent O(9)Li2VP tetrahedra, corners with two equivalent O(13)Li3C tetrahedra,  a cornercorner with one O(19)Li2FeP trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids,  an edgeedge with one O(11)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)Li2FeP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(7), one Fe(1), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(8)Li2FeP tetrahedra, corners with two equivalent O(10)Li2VP tetrahedra, corners with two equivalent O(14)Li3C tetrahedra,  a cornercorner with one O(18)Li2FeP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids,  an edgeedge with one O(11)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. is represented by the CIF card [CIF]
data_Li6VFeP2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.017
_cell_length_b   6.541
_cell_length_c   8.539
_cell_angle_alpha   89.993
_cell_angle_beta   96.593
_cell_angle_gamma   89.991
_symmetry_Int_Tables_number   1
_cell_volume   278.386
_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
  C  C0  1  0.670  0.250  0.964  1.0
  C  C1  1  0.328  0.750  0.036  1.0
  Fe  Fe2  1  0.211  0.750  0.330  1.0
  Li  Li3  1  0.796  0.750  0.895  1.0
  Li  Li4  1  0.204  0.250  0.103  1.0
  Li  Li5  1  0.267  0.975  0.723  1.0
  Li  Li6  1  0.267  0.524  0.723  1.0
  Li  Li7  1  0.731  0.483  0.276  1.0
  Li  Li8  1  0.731  0.017  0.276  1.0
  O  O9  1  0.918  0.250  0.934  1.0
  O  O10  1  0.396  0.750  0.894  1.0
  O  O11  1  0.486  0.250  0.842  1.0
  O  O12  1  0.168  0.250  0.574  1.0
  O  O13  1  0.418  0.750  0.569  1.0
  O  O14  1  0.582  0.250  0.431  1.0
  O  O15  1  0.830  0.750  0.425  1.0
  O  O16  1  0.512  0.750  0.159  1.0
  O  O17  1  0.606  0.250  0.106  1.0
  O  O18  1  0.080  0.750  0.063  1.0
  O  O19  1  0.840  0.933  0.694  1.0
  O  O20  1  0.841  0.567  0.694  1.0
  O  O21  1  0.162  0.064  0.307  1.0
  O  O22  1  0.162  0.436  0.307  1.0
  P  P23  1  0.732  0.750  0.589  1.0
  P  P24  1  0.269  0.250  0.411  1.0
  V  V25  1  0.791  0.250  0.674  1.0
[/CIF]
.
The crystal structure described by Li6VFeP2(CO7)2 crystallizes in the monoclinic Cm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(17), and one O(3) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(13), one O(2), and two equivalent O(18) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(14), and two equivalent O(19) atoms. In the fourth Li site, Li(4) is bonded to one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. In the fifth Li site, Li(5) is bonded to one O(17), one O(3), one O(4), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. In the sixth Li site, Li(6) is bonded to one O(11), one O(12), one O(13), one O(18), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(12), one O(14), and one O(19) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-88°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(5), one O(7), and two equivalent O(16) atoms to form distorted VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(7)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), one O(9), and two equivalent O(17) atoms to form distorted VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. Fe(1) is bonded to one O(11), one O(12), one O(15), one O(18), one O(19), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(14), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(13), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(12), one O(15), and one O(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(17), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-62°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(18) atoms to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with four equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. In the third P site, P(3) is bonded to one O(10), one O(7), and two equivalent O(19) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with four equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one C(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), and one C(3) atom to form OLi3C tetrahedra that share  a cornercorner with one O(12)Li2FeC trigonal pyramid,  a cornercorner with one O(4)Li2VC trigonal pyramid,  a cornercorner with one O(5)Li2VC trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(8)Li2FeP tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(5), one V(2), and one C(1) atom to form distorted OLi2VC trigonal pyramids that share  a cornercorner with one O(9)Li2VP tetrahedra,  a cornercorner with one O(14)Li3C tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(6)Li2VP trigonal pyramid, corners with four equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(6)Li2VP trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Li(4), one V(1), and one C(2) atom to form distorted OLi2VC trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(13)Li3C tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with four equivalent O(16)Li2VP trigonal pyramids, and  an edgeedge with one O(7)Li2VP trigonal pyramid. In the sixth O site, O(6) is bonded to two equivalent Li(5), one V(2), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(9)Li2VP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(4)Li2VC trigonal pyramid, corners with two equivalent O(18)Li2FeP trigonal pyramids,  an edgeedge with one O(4)Li2VC trigonal pyramid, and edges with two equivalent O(17)Li2VP trigonal pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(4), one V(1), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(10)Li2VP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(5)Li2VC trigonal pyramid, corners with two equivalent O(19)Li2FeP trigonal pyramids,  an edgeedge with one O(5)Li2VC trigonal pyramid, and edges with two equivalent O(16)Li2VP trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(12)Li2FeC trigonal pyramid,  a cornercorner with one O(18)Li2FeP trigonal pyramid,  a cornercorner with one O(19)Li2FeP trigonal pyramid,  a cornercorner with one O(4)Li2VC trigonal pyramid,  a cornercorner with one O(5)Li2VC trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(3)Li3C tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(6), one V(2), and one P(2) atom to form distorted OLi2VP tetrahedra that share  a cornercorner with one O(4)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(6)Li2VP trigonal pyramids, corners with four equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(13)Li3C tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Li(7), one V(1), and one P(3) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(5)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with four equivalent O(19)Li2FeP trigonal pyramids, and  an edgeedge with one O(14)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to one Li(6), one Li(7), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(9)Li2VP tetrahedra,  a cornercorner with one O(13)Li3C tetrahedra,  a cornercorner with one O(14)Li3C tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra,  a cornercorner with one O(12)Li2FeC trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(17)Li2VP trigonal pyramid,  an edgeedge with one O(12)Li2FeC trigonal pyramid,  an edgeedge with one O(18)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(6), one Li(7), one Fe(1), and one C(3) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(8)Li2FeP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(9)Li2VP tetrahedra,  a cornercorner with one O(13)Li3C tetrahedra,  a cornercorner with one O(14)Li3C tetrahedra,  a cornercorner with one O(3)Li3C tetrahedra,  a cornercorner with one O(11)Li2FeP trigonal pyramid, corners with two equivalent O(18)Li2FeP trigonal pyramids, corners with two equivalent O(19)Li2FeP trigonal pyramids, and  an edgeedge with one O(11)Li2FeP trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(2), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share  a cornercorner with one O(5)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with four equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(9)Li2VP tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), two equivalent Li(7), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(4)Li2VC trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids, corners with two equivalent O(11)Li2FeP trigonal pyramids, corners with four equivalent O(19)Li2FeP trigonal pyramids, and  an edgeedge with one O(10)Li2VP tetrahedra. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(3) atom. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(4), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(11)Li2FeP trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid, corners with two equivalent O(5)Li2VC trigonal pyramids,  an edgeedge with one O(17)Li2VP trigonal pyramid, and  an edgeedge with one O(7)Li2VP trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(5), one V(2), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(9)Li2VP tetrahedra, corners with two equivalent O(8)Li2FeP tetrahedra, corners with two equivalent O(3)Li3C tetrahedra,  a cornercorner with one O(11)Li2FeP trigonal pyramid,  a cornercorner with one O(17)Li2VP trigonal pyramid, corners with two equivalent O(4)Li2VC trigonal pyramids,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(6)Li2VP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(6), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(8)Li2FeP tetrahedra, corners with two equivalent O(9)Li2VP tetrahedra, corners with two equivalent O(13)Li3C tetrahedra,  a cornercorner with one O(19)Li2FeP trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids,  an edgeedge with one O(11)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)Li2FeP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(7), one Fe(1), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(8)Li2FeP tetrahedra, corners with two equivalent O(10)Li2VP tetrahedra, corners with two equivalent O(14)Li3C tetrahedra,  a cornercorner with one O(18)Li2FeP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid, corners with two equivalent O(12)Li2FeC trigonal pyramids,  an edgeedge with one O(11)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. is represented by the CIF card [CIF]
data_Li6VFeP2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.017
_cell_length_b   6.541
_cell_length_c   8.539
_cell_angle_alpha   89.993
_cell_angle_beta   96.593
_cell_angle_gamma   89.991
_symmetry_Int_Tables_number   1
_cell_volume   278.386
_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
  C  C0  1  0.670  0.250  0.964  1.0
  C  C1  1  0.328  0.750  0.036  1.0
  Fe  Fe2  1  0.211  0.750  0.330  1.0
  Li  Li3  1  0.796  0.750  0.895  1.0
  Li  Li4  1  0.204  0.250  0.103  1.0
  Li  Li5  1  0.267  0.975  0.723  1.0
  Li  Li6  1  0.267  0.524  0.723  1.0
  Li  Li7  1  0.731  0.483  0.276  1.0
  Li  Li8  1  0.731  0.017  0.276  1.0
  O  O9  1  0.918  0.250  0.934  1.0
  O  O10  1  0.396  0.750  0.894  1.0
  O  O11  1  0.486  0.250  0.842  1.0
  O  O12  1  0.168  0.250  0.574  1.0
  O  O13  1  0.418  0.750  0.569  1.0
  O  O14  1  0.582  0.250  0.431  1.0
  O  O15  1  0.830  0.750  0.425  1.0
  O  O16  1  0.512  0.750  0.159  1.0
  O  O17  1  0.606  0.250  0.106  1.0
  O  O18  1  0.080  0.750  0.063  1.0
  O  O19  1  0.840  0.933  0.694  1.0
  O  O20  1  0.841  0.567  0.694  1.0
  O  O21  1  0.162  0.064  0.307  1.0
  O  O22  1  0.162  0.436  0.307  1.0
  P  P23  1  0.732  0.750  0.589  1.0
  P  P24  1  0.269  0.250  0.411  1.0
  V  V25  1  0.791  0.250  0.674  1.0
[/CIF]
.