NaLi2FeCPO7 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(24), one O(25), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(23), one O(26), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-91°. In the third Li site, Li(3) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-88°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(21), one O(23), and one O(27) atom. In the fifth Li site, Li(5) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-89°. In the sixth Li site, Li(6) is bonded to one O(17), one O(18), one O(20), one O(24), and one O(28) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)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, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-89°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(27), one O(4), and one O(5) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(21), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(28), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-63°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-61°. In the third P site, P(3) is bonded to one O(12), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-62°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-60°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Li(2), and one C(3) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Li(3), and one C(4) atom to form distorted ONa2LiC trigonal pyramids that share  a cornercorner with one O(8)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid,  an edgeedge with one O(13)NaLiFeP tetrahedra, and  an edgeedge with one O(24)Na2LiFeC trigonal bipyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(3), one Li(8), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Li(7), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(2), one Li(2), one Li(7), one Fe(1), and one C(1) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, and  an edgeedge with one O(27)Li3C tetrahedra. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(3), one Li(3), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Li(1), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid, and  a cornercorner with one O(2)Na2LiC trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded to one Na(1), one Li(2), one Fe(2), and one P(2) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(24)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid, and  a cornercorner with one O(2)Na2LiC trigonal pyramid. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Fe(3), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(23)Li3FeC trigonal bipyramid, corners with two equivalent O(5)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  a cornercorner with one O(10)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(2), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(3), one Li(3), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(24)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(3), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Li(4), one Li(5), one Fe(4), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(24)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(23)Li3FeC trigonal bipyramid. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(5), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid, corners with two equivalent O(23)Li3FeC trigonal bipyramids,  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with two equivalent O(15)Li2FeP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Li(6), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(4), one Li(6), one Fe(2), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share corners with two equivalent O(24)Na2LiFeC trigonal bipyramids and  a cornercorner with one O(10)NaLiFeP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(4), one Li(7), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Fe(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(4), one Li(4), one Li(8), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(4), one Li(5), one Fe(3), and one C(3) atom to form distorted OLi3FeC trigonal bipyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(15)Li2FeP trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Na(1), one Na(4), one Li(6), one Fe(4), and one C(4) atom to form distorted ONa2LiFeC trigonal bipyramids that share  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC trigonal pyramid. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Li(4), one Li(5), one Li(7), and one C(1) atom to form distorted OLi3C tetrahedra that share corners with two equivalent O(23)Li3FeC trigonal bipyramids, corners with two equivalent O(15)Li2FeP trigonal pyramids,  an edgeedge with one O(16)Li2FeP tetrahedra, and  an edgeedge with one O(5)NaLi2FeC trigonal bipyramid. In the twenty-eighth O site, O(28) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Li(6), one Li(8), and one C(2) atom.
NaLi2FeCPO7 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(24), one O(25), and one O(9) atom. The Na(1)-O(10) bond length is 2.41 Å. The Na(1)-O(2) bond length is 2.33 Å. The Na(1)-O(24) bond length is 2.49 Å. The Na(1)-O(25) bond length is 2.21 Å. The Na(1)-O(9) bond length is 2.40 Å. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom. The Na(2)-O(1) bond length is 2.31 Å. The Na(2)-O(11) bond length is 2.45 Å. The Na(2)-O(12) bond length is 2.35 Å. The Na(2)-O(4) bond length is 2.66 Å. The Na(2)-O(5) bond length is 2.39 Å. The Na(2)-O(7) bond length is 2.75 Å. The Na(2)-O(9) bond length is 2.49 Å. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. The Na(3)-O(13) bond length is 2.47 Å. The Na(3)-O(14) bond length is 2.34 Å. The Na(3)-O(2) bond length is 2.29 Å. The Na(3)-O(3) bond length is 2.65 Å. The Na(3)-O(6) bond length is 2.42 Å. The Na(3)-O(7) bond length is 2.45 Å. The Na(3)-O(9) bond length is 2.75 Å. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. The Na(4)-O(17) bond length is 2.30 Å. The Na(4)-O(18) bond length is 2.44 Å. The Na(4)-O(19) bond length is 2.45 Å. The Na(4)-O(21) bond length is 2.80 Å. The Na(4)-O(24) bond length is 2.41 Å. The Na(4)-O(25) bond length is 2.66 Å. The Na(4)-O(28) bond length is 2.31 Å. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(23), one O(26), one O(7), and one O(8) atom. The Li(1)-O(1) bond length is 2.16 Å. The Li(1)-O(23) bond length is 2.35 Å. The Li(1)-O(26) bond length is 2.03 Å. The Li(1)-O(7) bond length is 2.46 Å. The Li(1)-O(8) bond length is 2.30 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(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, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-91°. The Li(2)-O(1) bond length is 2.05 Å. The Li(2)-O(10) bond length is 2.18 Å. The Li(2)-O(11) bond length is 2.09 Å. The Li(2)-O(12) bond length is 2.13 Å. The Li(2)-O(5) bond length is 2.49 Å. In the third Li site, Li(3) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-88°. The Li(3)-O(13) bond length is 2.14 Å. The Li(3)-O(14) bond length is 2.11 Å. The Li(3)-O(2) bond length is 2.01 Å. The Li(3)-O(6) bond length is 2.46 Å. The Li(3)-O(8) bond length is 2.17 Å. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(21), one O(23), and one O(27) atom. The Li(4)-O(15) bond length is 2.18 Å. The Li(4)-O(16) bond length is 2.28 Å. The Li(4)-O(21) bond length is 2.33 Å. The Li(4)-O(23) bond length is 2.42 Å. The Li(4)-O(27) bond length is 2.09 Å. In the fifth Li site, Li(5) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-89°. The Li(5)-O(15) bond length is 2.27 Å. The Li(5)-O(16) bond length is 2.18 Å. The Li(5)-O(22) bond length is 2.12 Å. The Li(5)-O(23) bond length is 2.37 Å. The Li(5)-O(27) bond length is 2.12 Å. In the sixth Li site, Li(6) is bonded to one O(17), one O(18), one O(20), one O(24), and one O(28) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)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, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-89°. The Li(6)-O(17) bond length is 2.09 Å. The Li(6)-O(18) bond length is 2.11 Å. The Li(6)-O(20) bond length is 2.24 Å. The Li(6)-O(24) bond length is 2.50 Å. The Li(6)-O(28) bond length is 2.06 Å. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(27), one O(4), and one O(5) atom. The Li(7)-O(19) bond length is 2.23 Å. The Li(7)-O(20) bond length is 2.36 Å. The Li(7)-O(27) bond length is 2.13 Å. The Li(7)-O(4) bond length is 2.06 Å. The Li(7)-O(5) bond length is 2.45 Å. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. The Li(8)-O(21) bond length is 2.19 Å. The Li(8)-O(22) bond length is 2.36 Å. The Li(8)-O(28) bond length is 2.13 Å. The Li(8)-O(3) bond length is 2.02 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The Fe(1)-O(14) bond length is 2.14 Å. The Fe(1)-O(16) bond length is 2.12 Å. The Fe(1)-O(3) bond length is 2.39 Å. The Fe(1)-O(5) bond length is 2.22 Å. The Fe(1)-O(7) bond length is 2.09 Å. The Fe(1)-O(8) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Fe(2)-O(10) bond length is 2.08 Å. The Fe(2)-O(12) bond length is 2.16 Å. The Fe(2)-O(18) bond length is 2.13 Å. The Fe(2)-O(4) bond length is 2.42 Å. The Fe(2)-O(6) bond length is 2.20 Å. The Fe(2)-O(9) bond length is 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The Fe(3)-O(11) bond length is 2.10 Å. The Fe(3)-O(17) bond length is 2.16 Å. The Fe(3)-O(19) bond length is 2.11 Å. The Fe(3)-O(20) bond length is 2.10 Å. The Fe(3)-O(23) bond length is 2.30 Å. The Fe(3)-O(25) bond length is 2.19 Å. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(21), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Fe(4)-O(13) bond length is 2.12 Å. The Fe(4)-O(15) bond length is 2.14 Å. The Fe(4)-O(21) bond length is 2.11 Å. The Fe(4)-O(22) bond length is 2.09 Å. The Fe(4)-O(24) bond length is 2.23 Å. The Fe(4)-O(26) bond length is 2.28 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(5) atom. The C(1)-O(27) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(28), one O(4), and one O(6) atom. The C(2)-O(28) bond length is 1.30 Å. The C(2)-O(4) bond length is 1.31 Å. The C(2)-O(6) bond length is 1.31 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. The C(3)-O(1) bond length is 1.30 Å. The C(3)-O(23) bond length is 1.30 Å. The C(3)-O(25) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. The C(4)-O(2) bond length is 1.29 Å. The C(4)-O(24) bond length is 1.31 Å. The C(4)-O(26) bond length is 1.30 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-63°. The P(1)-O(11) bond length is 1.56 Å. The P(1)-O(15) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-61°. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(13) bond length is 1.56 Å. The P(2)-O(17) bond length is 1.54 Å. The P(2)-O(9) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(12), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-62°. The P(3)-O(12) bond length is 1.55 Å. The P(3)-O(16) bond length is 1.56 Å. The P(3)-O(19) bond length is 1.56 Å. The P(3)-O(20) bond length is 1.56 Å. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-60°. The P(4)-O(14) bond length is 1.55 Å. The P(4)-O(18) bond length is 1.56 Å. The P(4)-O(21) bond length is 1.57 Å. The P(4)-O(22) bond length is 1.56 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Li(2), and one C(3) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Li(3), and one C(4) atom to form distorted ONa2LiC trigonal pyramids that share  a cornercorner with one O(8)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid,  an edgeedge with one O(13)NaLiFeP tetrahedra, and  an edgeedge with one O(24)Na2LiFeC trigonal bipyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(3), one Li(8), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Li(7), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(2), one Li(2), one Li(7), one Fe(1), and one C(1) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, and  an edgeedge with one O(27)Li3C tetrahedra. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(3), one Li(3), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Li(1), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid, and  a cornercorner with one O(2)Na2LiC trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded to one Na(1), one Li(2), one Fe(2), and one P(2) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(24)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid, and  a cornercorner with one O(2)Na2LiC trigonal pyramid. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Fe(3), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(23)Li3FeC trigonal bipyramid, corners with two equivalent O(5)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  a cornercorner with one O(10)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(2), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(3), one Li(3), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(24)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(3), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Li(4), one Li(5), one Fe(4), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(24)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(23)Li3FeC trigonal bipyramid. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(5), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid, corners with two equivalent O(23)Li3FeC trigonal bipyramids,  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with two equivalent O(15)Li2FeP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Li(6), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(4), one Li(6), one Fe(2), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share corners with two equivalent O(24)Na2LiFeC trigonal bipyramids and  a cornercorner with one O(10)NaLiFeP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(4), one Li(7), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Fe(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(4), one Li(4), one Li(8), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(4), one Li(5), one Fe(3), and one C(3) atom to form distorted OLi3FeC trigonal bipyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(15)Li2FeP trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Na(1), one Na(4), one Li(6), one Fe(4), and one C(4) atom to form distorted ONa2LiFeC trigonal bipyramids that share  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC trigonal pyramid. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Li(4), one Li(5), one Li(7), and one C(1) atom to form distorted OLi3C tetrahedra that share corners with two equivalent O(23)Li3FeC trigonal bipyramids, corners with two equivalent O(15)Li2FeP trigonal pyramids,  an edgeedge with one O(16)Li2FeP tetrahedra, and  an edgeedge with one O(5)NaLi2FeC trigonal bipyramid. In the twenty-eighth O site, O(28) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Li(6), one Li(8), and one C(2) atom.