Na2LiFeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(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 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(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom. In the fourth Na site, Na(4) 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 fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(21), one O(23), one O(26), and one O(27) atom. In the seventh Na site, Na(7) 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. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(20), one O(22), one O(24), one O(25), and one O(28) atom. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(25), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(15), one O(16), one O(22), and one O(27) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(27), and one O(4) atom. In the fourth Li site, Li(4) 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(5), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom. 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, and corners with two equivalent P(3)O4 tetrahedra. 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, and corners with two equivalent P(4)O4 tetrahedra. 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, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-60°. 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 and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. 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 corners with two equivalent Fe(3)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-50°. 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 corners with two equivalent Fe(4)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), and one C(3) atom to form distorted edge-sharing ONa3C trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Li(1), and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Na(5), one Li(4), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Na(3), one Li(3), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(5), 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(1), one Na(2), one Na(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Li(1), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(3), one Na(5), one Li(1), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(2), one Na(3), one Fe(3), and one P(1) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(20)NaLiFeP trigonal pyramid and  an edgeedge with one O(1)Na3C trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Fe(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(6), one Li(2), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded to one Na(6), one Li(2), one Fe(1), and one P(3) atom to form distorted corner-sharing ONaLiFeP tetrahedra. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(7), one Na(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(7), one Na(8), one Fe(2), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(3), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Na(8), one Li(3), one Fe(3), and one P(3) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra,  a cornercorner with one O(28)Na2LiC tetrahedra, and  a cornercorner with one O(16)NaLiFeP tetrahedra. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(6), one Na(7), one Li(4), 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 Na(8), one Li(2), one Li(4), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Na(1), one Na(6), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(7), one Na(8), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(7), one Na(8), one Li(1), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(2), one Li(3), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded to one Na(7), one Na(8), one Li(4), and one C(2) atom to form distorted corner-sharing ONa2LiC tetrahedra.
Na2LiFeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(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 Na(1)-O(1) bond length is 2.30 Å. The Na(1)-O(23) bond length is 2.64 Å. The Na(1)-O(26) bond length is 2.23 Å. The Na(1)-O(7) bond length is 2.38 Å. The Na(1)-O(8) bond length is 2.51 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 2.27 Å. The Na(2)-O(11) bond length is 2.41 Å. The Na(2)-O(12) bond length is 2.36 Å. The Na(2)-O(4) bond length is 2.79 Å. The Na(2)-O(5) bond length is 2.51 Å. The Na(2)-O(7) bond length is 2.81 Å. The Na(2)-O(9) bond length is 2.44 Å. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom. The Na(3)-O(1) bond length is 2.27 Å. The Na(3)-O(10) bond length is 2.42 Å. The Na(3)-O(11) bond length is 2.43 Å. The Na(3)-O(12) bond length is 2.37 Å. The Na(3)-O(4) bond length is 2.79 Å. The Na(3)-O(5) bond length is 2.48 Å. The Na(3)-O(8) bond length is 2.91 Å. In the fourth Na site, Na(4) 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(4)-O(13) bond length is 2.47 Å. The Na(4)-O(14) bond length is 2.34 Å. The Na(4)-O(2) bond length is 2.32 Å. The Na(4)-O(3) bond length is 2.80 Å. The Na(4)-O(6) bond length is 2.42 Å. The Na(4)-O(7) bond length is 2.46 Å. The Na(4)-O(9) bond length is 2.82 Å. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. The Na(5)-O(10) bond length is 2.81 Å. The Na(5)-O(13) bond length is 2.46 Å. The Na(5)-O(14) bond length is 2.36 Å. The Na(5)-O(2) bond length is 2.32 Å. The Na(5)-O(3) bond length is 2.80 Å. The Na(5)-O(6) bond length is 2.42 Å. The Na(5)-O(8) bond length is 2.43 Å. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(21), one O(23), one O(26), and one O(27) atom. The Na(6)-O(15) bond length is 2.40 Å. The Na(6)-O(16) bond length is 2.47 Å. The Na(6)-O(19) bond length is 2.73 Å. The Na(6)-O(21) bond length is 2.47 Å. The Na(6)-O(23) bond length is 2.43 Å. The Na(6)-O(26) bond length is 2.69 Å. The Na(6)-O(27) bond length is 2.42 Å. In the seventh Na site, Na(7) 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(7)-O(17) bond length is 2.36 Å. The Na(7)-O(18) bond length is 2.50 Å. The Na(7)-O(19) bond length is 2.45 Å. The Na(7)-O(21) bond length is 2.87 Å. The Na(7)-O(24) bond length is 2.40 Å. The Na(7)-O(25) bond length is 2.66 Å. The Na(7)-O(28) bond length is 2.33 Å. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(20), one O(22), one O(24), one O(25), and one O(28) atom. The Na(8)-O(17) bond length is 2.36 Å. The Na(8)-O(18) bond length is 2.44 Å. The Na(8)-O(20) bond length is 2.35 Å. The Na(8)-O(22) bond length is 2.93 Å. The Na(8)-O(24) bond length is 2.33 Å. The Na(8)-O(25) bond length is 2.69 Å. The Na(8)-O(28) bond length is 2.34 Å. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(25), and one O(9) atom. The Li(1)-O(10) bond length is 2.33 Å. The Li(1)-O(2) bond length is 2.12 Å. The Li(1)-O(25) bond length is 2.07 Å. The Li(1)-O(9) bond length is 2.30 Å. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(15), one O(16), one O(22), and one O(27) atom. The Li(2)-O(15) bond length is 2.16 Å. The Li(2)-O(16) bond length is 2.08 Å. The Li(2)-O(22) bond length is 2.19 Å. The Li(2)-O(27) bond length is 2.18 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(27), and one O(4) atom. The Li(3)-O(19) bond length is 2.25 Å. The Li(3)-O(20) bond length is 2.14 Å. The Li(3)-O(27) bond length is 2.07 Å. The Li(3)-O(4) bond length is 2.10 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. The Li(4)-O(21) bond length is 2.31 Å. The Li(4)-O(22) bond length is 2.19 Å. The Li(4)-O(28) bond length is 2.01 Å. The Li(4)-O(3) bond length is 2.01 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(5), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Fe(1)-O(14) bond length is 2.09 Å. The Fe(1)-O(16) bond length is 2.08 Å. The Fe(1)-O(5) bond length is 2.10 Å. The Fe(1)-O(7) bond length is 2.18 Å. The Fe(1)-O(8) bond length is 2.19 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom. The Fe(2)-O(10) bond length is 2.20 Å. The Fe(2)-O(12) bond length is 2.15 Å. The Fe(2)-O(18) bond length is 2.09 Å. The Fe(2)-O(4) bond length is 2.53 Å. The Fe(2)-O(6) bond length is 2.11 Å. The Fe(2)-O(9) bond length is 2.19 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, and corners with two equivalent P(3)O4 tetrahedra. The Fe(3)-O(11) bond length is 2.05 Å. The Fe(3)-O(17) bond length is 2.11 Å. The Fe(3)-O(19) bond length is 2.23 Å. The Fe(3)-O(20) bond length is 2.20 Å. The Fe(3)-O(23) bond length is 2.12 Å. The Fe(3)-O(25) bond length is 2.48 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, and corners with two equivalent P(4)O4 tetrahedra. The Fe(4)-O(13) bond length is 2.09 Å. The Fe(4)-O(15) bond length is 2.15 Å. The Fe(4)-O(21) bond length is 2.17 Å. The Fe(4)-O(22) bond length is 2.22 Å. The Fe(4)-O(24) bond length is 2.22 Å. The Fe(4)-O(26) bond length is 2.25 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 1.29 Å. The C(1)-O(3) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.32 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 1.29 Å. The C(2)-O(4) bond length is 1.30 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 1.28 Å. The C(3)-O(23) bond length is 1.31 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 1.30 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, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-60°. 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 and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(13) bond length is 1.57 Å. The P(2)-O(17) bond length is 1.55 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 corners with two equivalent Fe(3)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-50°. The P(3)-O(12) bond length is 1.55 Å. The P(3)-O(16) bond length is 1.57 Å. The P(3)-O(19) bond length is 1.55 Å. The P(3)-O(20) bond length is 1.55 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 corners with two equivalent Fe(4)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-49°. 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 1.56 Å. The P(4)-O(22) bond length is 1.57 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), and one C(3) atom to form distorted edge-sharing ONa3C trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Li(1), and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Na(5), one Li(4), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Na(3), one Li(3), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(5), 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(1), one Na(2), one Na(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Li(1), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(3), one Na(5), one Li(1), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(2), one Na(3), one Fe(3), and one P(1) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(20)NaLiFeP trigonal pyramid and  an edgeedge with one O(1)Na3C trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Fe(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(6), one Li(2), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded to one Na(6), one Li(2), one Fe(1), and one P(3) atom to form distorted corner-sharing ONaLiFeP tetrahedra. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(7), one Na(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(7), one Na(8), one Fe(2), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(3), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Na(8), one Li(3), one Fe(3), and one P(3) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra,  a cornercorner with one O(28)Na2LiC tetrahedra, and  a cornercorner with one O(16)NaLiFeP tetrahedra. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(6), one Na(7), one Li(4), 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 Na(8), one Li(2), one Li(4), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Na(1), one Na(6), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(7), one Na(8), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(7), one Na(8), one Li(1), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(2), one Li(3), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded to one Na(7), one Na(8), one Li(4), and one C(2) atom to form distorted corner-sharing ONa2LiC tetrahedra.