Na3Li3Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(8), one O(9), and two equivalent O(10) atoms. There are three 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(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(14), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(14), and one O(2) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(6), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O5 trigonal bipyramids. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Li(1), and one C(2) atom to form distorted edge-sharing ONa2LiC tetrahedra. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), one Li(3), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Fe(2), and one P(1) atom to form distorted edge-sharing ONa2FeP tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Li(2), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Li(2), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Na(3), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Li(2), one Fe(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Na(3), one Li(1), one Fe(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a distorted tetrahedral geometry to one Na(3), one Li(2), one Li(3), and one C(1) atom.
Na3Li3Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms. The Na(1)-O(1) bond length is 2.28 Å. The Na(1)-O(2) bond length is 2.78 Å. The Na(1)-O(3) bond length is 2.41 Å. The Na(1)-O(6) bond length is 2.42 Å. The Na(1)-O(7) bond length is 2.33 Å. There is one shorter (2.40 Å) and one longer (2.79 Å) Na(1)-O(4) bond length. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms. The Na(2)-O(1) bond length is 2.27 Å. The Na(2)-O(2) bond length is 2.78 Å. The Na(2)-O(3) bond length is 2.41 Å. The Na(2)-O(6) bond length is 2.41 Å. The Na(2)-O(7) bond length is 2.34 Å. There is one shorter (2.40 Å) and one longer (2.83 Å) Na(2)-O(5) bond length. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(8), one O(9), and two equivalent O(10) atoms. The Na(3)-O(12) bond length is 2.42 Å. The Na(3)-O(13) bond length is 2.74 Å. The Na(3)-O(14) bond length is 2.38 Å. The Na(3)-O(8) bond length is 2.41 Å. The Na(3)-O(9) bond length is 2.52 Å. There is one shorter (2.47 Å) and one longer (2.72 Å) Na(3)-O(10) bond length. There are three 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(4), and one O(5) atom. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(13) bond length is 2.02 Å. The Li(1)-O(4) bond length is 2.14 Å. The Li(1)-O(5) bond length is 2.40 Å. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(14), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Li(2)-O(11) bond length is 2.12 Å. The Li(2)-O(12) bond length is 2.44 Å. The Li(2)-O(14) bond length is 2.10 Å. The Li(2)-O(8) bond length is 2.16 Å. The Li(2)-O(9) bond length is 2.13 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(14), and one O(2) atom. The Li(3)-O(10) bond length is 2.31 Å. The Li(3)-O(11) bond length is 2.12 Å. The Li(3)-O(14) bond length is 2.07 Å. The Li(3)-O(2) bond length is 2.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. The Fe(1)-O(2) bond length is 2.52 Å. The Fe(1)-O(3) bond length is 2.13 Å. The Fe(1)-O(4) bond length is 2.20 Å. The Fe(1)-O(5) bond length is 2.18 Å. The Fe(1)-O(7) bond length is 2.11 Å. The Fe(1)-O(9) bond length is 2.08 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(6), and one O(8) atom. The Fe(2)-O(10) bond length is 2.21 Å. The Fe(2)-O(11) bond length is 2.19 Å. The Fe(2)-O(12) bond length is 2.11 Å. The Fe(2)-O(13) bond length is 2.42 Å. The Fe(2)-O(6) bond length is 2.05 Å. The Fe(2)-O(8) bond length is 2.10 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. The C(1)-O(14) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. The C(2)-O(1) bond length is 1.29 Å. The C(2)-O(12) bond length is 1.31 Å. The C(2)-O(13) bond length is 1.30 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O5 trigonal bipyramids. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(11) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.55 Å. The P(2)-O(9) bond length is 1.57 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Li(1), and one C(2) atom to form distorted edge-sharing ONa2LiC tetrahedra. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), one Li(3), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Fe(2), and one P(1) atom to form distorted edge-sharing ONa2FeP tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Li(2), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Li(2), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Na(3), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Li(2), one Fe(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Na(3), one Li(1), one Fe(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a distorted tetrahedral geometry to one Na(3), one Li(2), one Li(3), and one C(1) atom.