Na2FeTi(PO4)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-40°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded to one Na(1), two equivalent Na(2), one Fe(1), and one P(4) atom to form distorted corner-sharing ONa3FeP trigonal bipyramids.
Na2FeTi(PO4)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. The Na(1)-O(11) bond length is 2.33 Å. The Na(1)-O(12) bond length is 2.49 Å. The Na(1)-O(3) bond length is 2.43 Å. The Na(1)-O(6) bond length is 2.34 Å. The Na(1)-O(7) bond length is 2.51 Å. The Na(1)-O(8) bond length is 2.36 Å. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. The Na(2)-O(10) bond length is 2.47 Å. The Na(2)-O(11) bond length is 2.40 Å. The Na(2)-O(8) bond length is 2.33 Å. The Na(2)-O(9) bond length is 2.39 Å. There is one shorter (2.35 Å) and one longer (2.41 Å) Na(2)-O(12) bond length. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Ti(1)-O(1) bond length is 1.92 Å. The Ti(1)-O(2) bond length is 1.94 Å. The Ti(1)-O(3) bond length is 1.95 Å. The Ti(1)-O(4) bond length is 1.92 Å. The Ti(1)-O(6) bond length is 1.96 Å. The Ti(1)-O(7) bond length is 1.96 Å. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Fe(1)-O(10) bond length is 1.97 Å. The Fe(1)-O(11) bond length is 2.05 Å. The Fe(1)-O(12) bond length is 2.15 Å. The Fe(1)-O(5) bond length is 1.88 Å. The Fe(1)-O(8) bond length is 2.06 Å. The Fe(1)-O(9) bond length is 1.98 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-40°. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.52 Å. The P(1)-O(6) bond length is 1.54 Å. The P(1)-O(9) bond length is 1.53 Å. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Both P(2)-O(10) bond lengths are 1.53 Å. Both P(2)-O(7) bond lengths are 1.54 Å. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. Both P(3)-O(2) bond lengths are 1.54 Å. Both P(3)-O(8) bond lengths are 1.52 Å. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. The P(4)-O(1) bond length is 1.53 Å. The P(4)-O(11) bond length is 1.52 Å. The P(4)-O(12) bond length is 1.54 Å. The P(4)-O(4) bond length is 1.53 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded to one Na(1), two equivalent Na(2), one Fe(1), and one P(4) atom to form distorted corner-sharing ONa3FeP trigonal bipyramids.