FeB2P2(HO4)3 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. B(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. P(1) 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 Fe(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second H site, H(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one B(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one B(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one P(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom.
FeB2P2(HO4)3 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Both Fe(1)-O(3) bond lengths are 2.04 Å. Both Fe(1)-O(4) bond lengths are 1.96 Å. Both Fe(1)-O(5) bond lengths are 2.04 Å. B(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. The B(1)-O(1) bond length is 1.58 Å. The B(1)-O(2) bond length is 1.44 Å. The B(1)-O(3) bond length is 1.44 Å. The B(1)-O(6) bond length is 1.46 Å. P(1) 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 Fe(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-50°. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(6) bond length is 1.56 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both H(1)-O(1) bond lengths are 1.32 Å. In the second H site, H(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. The H(2)-O(3) bond length is 1.01 Å. The H(2)-O(5) bond length is 1.61 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one B(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one B(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one P(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom.