The material structure described by Li7V4(PO4)6 crystallizes in the triclinic P1 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(1), one O(13), one O(23), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(16), one O(20), one O(3), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(16), one O(17), one O(19), and one O(22) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(14), one O(17), one O(18), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(4), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(18), one O(23), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(14), one O(19), one O(24), and one O(3) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(13), one O(18), one O(4), and one O(6) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(14), one O(17), one O(20), one O(22), one O(24), and one O(9) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(10), one O(15), one O(2), one O(23), one O(5), and one O(7) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth V site, V(4) is bonded to one O(12), one O(16), one O(19), one O(21), one O(3), and one O(8) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(24), 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,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. In the third P site, P(3) is bonded to one O(12), one O(13), one O(20), and one O(7) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(19), and one O(6) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the fifth P site, P(5) is bonded to one O(1), one O(16), one O(17), and one O(2) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. In the sixth P site, P(6) is bonded to one O(18), one O(21), one O(22), and one O(23) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one P(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(7), one V(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(6), one V(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(5), one V(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one V(2), and one P(1) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(5), one Li(6), one V(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one V(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(4) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one V(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(7), one V(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(4), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(6), one V(1), and one P(6) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(7), one V(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(4) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(6), one V(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(7), one V(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Li7V4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.846
_cell_length_b   8.845
_cell_length_c   8.727
_cell_angle_alpha   59.803
_cell_angle_beta   59.761
_cell_angle_gamma   60.306
_symmetry_Int_Tables_number   1
_cell_volume   482.281
_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  0.291  0.115  0.825  1.0
  Li  Li1  1  0.885  0.229  0.172  1.0
  Li  Li2  1  0.232  0.714  0.168  1.0
  Li  Li3  1  0.501  0.506  0.491  1.0
  Li  Li4  1  0.769  0.292  0.823  1.0
  Li  Li5  1  0.116  0.771  0.822  1.0
  Li  Li6  1  0.714  0.886  0.168  1.0
  V  V7  1  0.359  0.359  0.925  1.0
  V  V8  1  0.643  0.642  0.072  1.0
  V  V9  1  0.148  0.146  0.559  1.0
  V  V10  1  0.853  0.854  0.439  1.0
  P  P11  1  0.546  0.248  0.248  1.0
  P  P12  1  0.751  0.046  0.748  1.0
  P  P13  1  0.045  0.455  0.750  1.0
  P  P14  1  0.957  0.546  0.249  1.0
  P  P15  1  0.248  0.956  0.250  1.0
  P  P16  1  0.454  0.752  0.750  1.0
  O  O17  1  0.311  0.107  0.061  1.0
  O  O18  1  0.222  0.987  0.420  1.0
  O  O19  1  0.719  0.068  0.246  1.0
  O  O20  1  0.523  0.311  0.057  1.0
  O  O21  1  0.375  0.215  0.418  1.0
  O  O22  1  0.107  0.528  0.057  1.0
  O  O23  1  0.039  0.283  0.743  1.0
  O  O24  1  0.777  0.015  0.578  1.0
  O  O25  1  0.600  0.385  0.257  1.0
  O  O26  1  0.934  0.038  0.746  1.0
  O  O27  1  0.615  0.245  0.741  1.0
  O  O28  1  0.012  0.633  0.586  1.0
  O  O29  1  0.246  0.397  0.743  1.0
  O  O30  1  0.757  0.604  0.255  1.0
  O  O31  1  0.989  0.368  0.414  1.0
  O  O32  1  0.066  0.967  0.250  1.0
  O  O33  1  0.383  0.757  0.257  1.0
  O  O34  1  0.400  0.613  0.740  1.0
  O  O35  1  0.966  0.717  0.254  1.0
  O  O36  1  0.898  0.468  0.942  1.0
  O  O37  1  0.627  0.782  0.580  1.0
  O  O38  1  0.475  0.688  0.940  1.0
  O  O39  1  0.281  0.932  0.750  1.0
  O  O40  1  0.690  0.897  0.937  1.0
[/CIF]
.
The material structure described by Li7V4(PO4)6 crystallizes in the triclinic P1 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(1), one O(13), one O(23), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(16), one O(20), one O(3), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(16), one O(17), one O(19), and one O(22) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(14), one O(17), one O(18), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(4), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(18), one O(23), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(14), one O(19), one O(24), and one O(3) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(13), one O(18), one O(4), and one O(6) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(14), one O(17), one O(20), one O(22), one O(24), and one O(9) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(10), one O(15), one O(2), one O(23), one O(5), and one O(7) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth V site, V(4) is bonded to one O(12), one O(16), one O(19), one O(21), one O(3), and one O(8) atom to form VO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(24), 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,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. In the third P site, P(3) is bonded to one O(12), one O(13), one O(20), and one O(7) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(19), and one O(6) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the fifth P site, P(5) is bonded to one O(1), one O(16), one O(17), and one O(2) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. In the sixth P site, P(6) is bonded to one O(18), one O(21), one O(22), and one O(23) 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 V(3)O6 octahedra, and  a cornercorner with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one P(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(7), one V(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(6), one V(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(5), one V(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one V(2), and one P(1) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(5), one Li(6), one V(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one V(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(4) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one V(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(7), one V(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(4), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(6), one V(1), and one P(6) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(7), one V(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(4) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(6), one V(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(7), one V(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Li7V4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.846
_cell_length_b   8.845
_cell_length_c   8.727
_cell_angle_alpha   59.803
_cell_angle_beta   59.761
_cell_angle_gamma   60.306
_symmetry_Int_Tables_number   1
_cell_volume   482.281
_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  0.291  0.115  0.825  1.0
  Li  Li1  1  0.885  0.229  0.172  1.0
  Li  Li2  1  0.232  0.714  0.168  1.0
  Li  Li3  1  0.501  0.506  0.491  1.0
  Li  Li4  1  0.769  0.292  0.823  1.0
  Li  Li5  1  0.116  0.771  0.822  1.0
  Li  Li6  1  0.714  0.886  0.168  1.0
  V  V7  1  0.359  0.359  0.925  1.0
  V  V8  1  0.643  0.642  0.072  1.0
  V  V9  1  0.148  0.146  0.559  1.0
  V  V10  1  0.853  0.854  0.439  1.0
  P  P11  1  0.546  0.248  0.248  1.0
  P  P12  1  0.751  0.046  0.748  1.0
  P  P13  1  0.045  0.455  0.750  1.0
  P  P14  1  0.957  0.546  0.249  1.0
  P  P15  1  0.248  0.956  0.250  1.0
  P  P16  1  0.454  0.752  0.750  1.0
  O  O17  1  0.311  0.107  0.061  1.0
  O  O18  1  0.222  0.987  0.420  1.0
  O  O19  1  0.719  0.068  0.246  1.0
  O  O20  1  0.523  0.311  0.057  1.0
  O  O21  1  0.375  0.215  0.418  1.0
  O  O22  1  0.107  0.528  0.057  1.0
  O  O23  1  0.039  0.283  0.743  1.0
  O  O24  1  0.777  0.015  0.578  1.0
  O  O25  1  0.600  0.385  0.257  1.0
  O  O26  1  0.934  0.038  0.746  1.0
  O  O27  1  0.615  0.245  0.741  1.0
  O  O28  1  0.012  0.633  0.586  1.0
  O  O29  1  0.246  0.397  0.743  1.0
  O  O30  1  0.757  0.604  0.255  1.0
  O  O31  1  0.989  0.368  0.414  1.0
  O  O32  1  0.066  0.967  0.250  1.0
  O  O33  1  0.383  0.757  0.257  1.0
  O  O34  1  0.400  0.613  0.740  1.0
  O  O35  1  0.966  0.717  0.254  1.0
  O  O36  1  0.898  0.468  0.942  1.0
  O  O37  1  0.627  0.782  0.580  1.0
  O  O38  1  0.475  0.688  0.940  1.0
  O  O39  1  0.281  0.932  0.750  1.0
  O  O40  1  0.690  0.897  0.937  1.0
[/CIF]
.