Fe2BP3O12 crystallizes in the hexagonal P6_3/m space group. Fe(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Fe(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(1) atom.
Fe2BP3O12 crystallizes in the hexagonal P6_3/m space group. Fe(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Fe(1)O6 octahedra. All Fe(1)-O(2) bond lengths are 1.95 Å. All Fe(1)-O(3) bond lengths are 2.13 Å. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All B(1)-O(1) bond lengths are 1.37 Å. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. The P(1)-O(1) bond length is 1.60 Å. The P(1)-O(3) bond length is 1.55 Å. Both P(1)-O(2) bond lengths are 1.52 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(1) atom.