The crystal structure described by Li6Cr3Fe(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form CrO6 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 Cr site, Cr(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form CrO6 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 Cr site, Cr(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form CrO6 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. Fe(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form FeO6 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(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-45°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Cr(2), and one P(3) atom to form OLi2CrP trigonal pyramids that share  a cornercorner with one O(16)Li3CrP trigonal bipyramid,  a cornercorner with one O(17)Li3CrP trigonal bipyramid,  a cornercorner with one O(20)Li3CrP trigonal bipyramid, and  an edgeedge with one O(14)Li2CrP trigonal pyramid. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Fe(1), and one P(4) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(20)Li3CrP trigonal bipyramid, corners with two equivalent O(17)Li3CrP trigonal bipyramids,  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(16)Li3CrP trigonal bipyramid,  a faceface with one O(18)Li3FeP trigonal bipyramid, and  a faceface with one O(22)Li3FeP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Cr(1), and one P(3) atom to form OLi2CrP trigonal pyramids that share  a cornercorner with one O(11)Li3FeP trigonal bipyramid,  a cornercorner with one O(18)Li3FeP trigonal bipyramid,  a cornercorner with one O(22)Li3FeP trigonal bipyramid, and  an edgeedge with one O(9)Li2CrP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Fe(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Li(5), one Cr(3), and one P(4) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(18)Li3FeP trigonal bipyramid, corners with two equivalent O(22)Li3FeP trigonal bipyramids,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(11)Li3FeP trigonal bipyramid,  a faceface with one O(17)Li3CrP trigonal bipyramid, and  a faceface with one O(20)Li3CrP trigonal bipyramid. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Li(6), one Cr(3), and one P(5) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(22)Li3FeP trigonal bipyramid, corners with two equivalent O(11)Li3FeP trigonal bipyramids,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(18)Li3FeP trigonal bipyramid,  a faceface with one O(16)Li3CrP trigonal bipyramid, and  a faceface with one O(20)Li3CrP trigonal bipyramid. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Fe(1), and one P(5) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(16)Li3CrP trigonal bipyramid, corners with two equivalent O(20)Li3CrP trigonal bipyramids,  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(17)Li3CrP trigonal bipyramid,  a faceface with one O(11)Li3FeP trigonal bipyramid, and  a faceface with one O(22)Li3FeP trigonal bipyramid. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(3), one Li(5), one Li(6), one Cr(3), and one P(6) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(11)Li3FeP trigonal bipyramid, corners with two equivalent O(18)Li3FeP trigonal bipyramids,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(22)Li3FeP trigonal bipyramid,  a faceface with one O(16)Li3CrP trigonal bipyramid, and  a faceface with one O(17)Li3CrP trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Cr(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Fe(1), and one P(6) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(17)Li3CrP trigonal bipyramid, corners with two equivalent O(16)Li3CrP trigonal bipyramids,  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(20)Li3CrP trigonal bipyramid,  a faceface with one O(11)Li3FeP trigonal bipyramid, and  a faceface with one O(18)Li3FeP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Cr(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Cr(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Li6Cr3Fe(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.537
_cell_length_b   8.577
_cell_length_c   8.577
_cell_angle_alpha   61.574
_cell_angle_beta   61.560
_cell_angle_gamma   61.543
_symmetry_Int_Tables_number   1
_cell_volume   459.617
_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  0.026  0.003  0.995  1.0
  Li  Li1  1  0.750  0.148  0.351  1.0
  Li  Li2  1  0.473  0.504  0.496  1.0
  Li  Li3  1  0.250  0.850  0.654  1.0
  Li  Li4  1  0.655  0.250  0.846  1.0
  Li  Li5  1  0.849  0.658  0.248  1.0
  Cr  Cr6  1  0.142  0.145  0.139  1.0
  Cr  Cr7  1  0.359  0.361  0.355  1.0
  Cr  Cr8  1  0.644  0.645  0.645  1.0
  Fe  Fe9  1  0.853  0.852  0.852  1.0
  P  P10  1  0.049  0.751  0.448  1.0
  P  P11  1  0.449  0.050  0.750  1.0
  P  P12  1  0.750  0.452  0.046  1.0
  P  P13  1  0.251  0.541  0.960  1.0
  P  P14  1  0.543  0.963  0.251  1.0
  P  P15  1  0.958  0.250  0.538  1.0
  O  O16  1  0.130  0.290  0.498  1.0
  O  O17  1  0.299  0.513  0.122  1.0
  O  O18  1  0.048  0.922  0.266  1.0
  O  O19  1  0.531  0.122  0.297  1.0
  O  O20  1  0.239  0.593  0.430  1.0
  O  O21  1  0.015  0.808  0.611  1.0
  O  O22  1  0.258  0.072  0.907  1.0
  O  O23  1  0.454  0.232  0.578  1.0
  O  O24  1  0.593  0.432  0.240  1.0
  O  O25  1  0.202  0.379  0.988  1.0
  O  O26  1  0.090  0.736  0.933  1.0
  O  O27  1  0.371  0.003  0.211  1.0
  O  O28  1  0.611  0.012  0.811  1.0
  O  O29  1  0.906  0.258  0.069  1.0
  O  O30  1  0.811  0.611  0.013  1.0
  O  O31  1  0.413  0.565  0.765  1.0
  O  O32  1  0.563  0.770  0.413  1.0
  O  O33  1  0.734  0.932  0.089  1.0
  O  O34  1  0.970  0.205  0.379  1.0
  O  O35  1  0.767  0.415  0.565  1.0
  O  O36  1  0.479  0.888  0.694  1.0
  O  O37  1  0.934  0.090  0.732  1.0
  O  O38  1  0.692  0.483  0.887  1.0
  O  O39  1  0.887  0.692  0.482  1.0
[/CIF]
.
The crystal structure described by Li6Cr3Fe(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form CrO6 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 Cr site, Cr(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form CrO6 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 Cr site, Cr(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form CrO6 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. Fe(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form FeO6 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(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-45°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Cr(2), and one P(3) atom to form OLi2CrP trigonal pyramids that share  a cornercorner with one O(16)Li3CrP trigonal bipyramid,  a cornercorner with one O(17)Li3CrP trigonal bipyramid,  a cornercorner with one O(20)Li3CrP trigonal bipyramid, and  an edgeedge with one O(14)Li2CrP trigonal pyramid. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Fe(1), and one P(4) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(20)Li3CrP trigonal bipyramid, corners with two equivalent O(17)Li3CrP trigonal bipyramids,  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(16)Li3CrP trigonal bipyramid,  a faceface with one O(18)Li3FeP trigonal bipyramid, and  a faceface with one O(22)Li3FeP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Cr(1), and one P(3) atom to form OLi2CrP trigonal pyramids that share  a cornercorner with one O(11)Li3FeP trigonal bipyramid,  a cornercorner with one O(18)Li3FeP trigonal bipyramid,  a cornercorner with one O(22)Li3FeP trigonal bipyramid, and  an edgeedge with one O(9)Li2CrP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Fe(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Li(5), one Cr(3), and one P(4) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(18)Li3FeP trigonal bipyramid, corners with two equivalent O(22)Li3FeP trigonal bipyramids,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(11)Li3FeP trigonal bipyramid,  a faceface with one O(17)Li3CrP trigonal bipyramid, and  a faceface with one O(20)Li3CrP trigonal bipyramid. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Li(6), one Cr(3), and one P(5) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(22)Li3FeP trigonal bipyramid, corners with two equivalent O(11)Li3FeP trigonal bipyramids,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(18)Li3FeP trigonal bipyramid,  a faceface with one O(16)Li3CrP trigonal bipyramid, and  a faceface with one O(20)Li3CrP trigonal bipyramid. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Fe(1), and one P(5) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(16)Li3CrP trigonal bipyramid, corners with two equivalent O(20)Li3CrP trigonal bipyramids,  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(17)Li3CrP trigonal bipyramid,  a faceface with one O(11)Li3FeP trigonal bipyramid, and  a faceface with one O(22)Li3FeP trigonal bipyramid. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(3), one Li(5), one Li(6), one Cr(3), and one P(6) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(11)Li3FeP trigonal bipyramid, corners with two equivalent O(18)Li3FeP trigonal bipyramids,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(22)Li3FeP trigonal bipyramid,  a faceface with one O(16)Li3CrP trigonal bipyramid, and  a faceface with one O(17)Li3CrP trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Cr(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Fe(1), and one P(6) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(17)Li3CrP trigonal bipyramid, corners with two equivalent O(16)Li3CrP trigonal bipyramids,  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(20)Li3CrP trigonal bipyramid,  a faceface with one O(11)Li3FeP trigonal bipyramid, and  a faceface with one O(18)Li3FeP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Cr(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Cr(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Li6Cr3Fe(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.537
_cell_length_b   8.577
_cell_length_c   8.577
_cell_angle_alpha   61.574
_cell_angle_beta   61.560
_cell_angle_gamma   61.543
_symmetry_Int_Tables_number   1
_cell_volume   459.617
_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  0.026  0.003  0.995  1.0
  Li  Li1  1  0.750  0.148  0.351  1.0
  Li  Li2  1  0.473  0.504  0.496  1.0
  Li  Li3  1  0.250  0.850  0.654  1.0
  Li  Li4  1  0.655  0.250  0.846  1.0
  Li  Li5  1  0.849  0.658  0.248  1.0
  Cr  Cr6  1  0.142  0.145  0.139  1.0
  Cr  Cr7  1  0.359  0.361  0.355  1.0
  Cr  Cr8  1  0.644  0.645  0.645  1.0
  Fe  Fe9  1  0.853  0.852  0.852  1.0
  P  P10  1  0.049  0.751  0.448  1.0
  P  P11  1  0.449  0.050  0.750  1.0
  P  P12  1  0.750  0.452  0.046  1.0
  P  P13  1  0.251  0.541  0.960  1.0
  P  P14  1  0.543  0.963  0.251  1.0
  P  P15  1  0.958  0.250  0.538  1.0
  O  O16  1  0.130  0.290  0.498  1.0
  O  O17  1  0.299  0.513  0.122  1.0
  O  O18  1  0.048  0.922  0.266  1.0
  O  O19  1  0.531  0.122  0.297  1.0
  O  O20  1  0.239  0.593  0.430  1.0
  O  O21  1  0.015  0.808  0.611  1.0
  O  O22  1  0.258  0.072  0.907  1.0
  O  O23  1  0.454  0.232  0.578  1.0
  O  O24  1  0.593  0.432  0.240  1.0
  O  O25  1  0.202  0.379  0.988  1.0
  O  O26  1  0.090  0.736  0.933  1.0
  O  O27  1  0.371  0.003  0.211  1.0
  O  O28  1  0.611  0.012  0.811  1.0
  O  O29  1  0.906  0.258  0.069  1.0
  O  O30  1  0.811  0.611  0.013  1.0
  O  O31  1  0.413  0.565  0.765  1.0
  O  O32  1  0.563  0.770  0.413  1.0
  O  O33  1  0.734  0.932  0.089  1.0
  O  O34  1  0.970  0.205  0.379  1.0
  O  O35  1  0.767  0.415  0.565  1.0
  O  O36  1  0.479  0.888  0.694  1.0
  O  O37  1  0.934  0.090  0.732  1.0
  O  O38  1  0.692  0.483  0.887  1.0
  O  O39  1  0.887  0.692  0.482  1.0
[/CIF]
.