Na2Fe2Zn(PO4)3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(6), and four equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Fe(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Fe(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), one Zn(1), and one P(2) atom.
Na2Fe2Zn(PO4)3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(6), and four equivalent O(5) atoms. Both Na(1)-O(3) bond lengths are 2.86 Å. Both Na(1)-O(6) bond lengths are 2.86 Å. There are two shorter (2.43 Å) and two longer (2.60 Å) Na(1)-O(5) bond lengths. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Both Na(2)-O(1) bond lengths are 2.35 Å. There are two shorter (2.46 Å) and two longer (2.56 Å) Na(2)-O(2) bond lengths. Fe(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Zn(1)O6 octahedra. The Fe(1)-O(1) bond length is 1.97 Å. The Fe(1)-O(3) bond length is 2.07 Å. The Fe(1)-O(5) bond length is 2.10 Å. The Fe(1)-O(6) bond length is 2.12 Å. There is one shorter (2.11 Å) and one longer (2.16 Å) Fe(1)-O(4) bond length. Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Both Zn(1)-O(2) bond lengths are 2.13 Å. Both Zn(1)-O(3) bond lengths are 2.24 Å. Both Zn(1)-O(6) bond lengths are 2.20 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. Both P(1)-O(1) bond lengths are 1.54 Å. Both P(1)-O(3) bond lengths are 1.57 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. The P(2)-O(2) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.57 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Fe(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), one Zn(1), and one P(2) atom.