YbB4O7 crystallizes in the orthorhombic Pmn2_1 space group. Yb(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Yb(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Yb(1) and two equivalent B(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Yb(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms.
YbB4O7 crystallizes in the orthorhombic Pmn2_1 space group. Yb(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Yb(1)-O(2) bond length is 2.39 Å. Both Yb(1)-O(1) bond lengths are 2.37 Å. Both Yb(1)-O(3) bond lengths are 2.55 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form corner-sharing BO4 tetrahedra. The B(1)-O(1) bond length is 1.43 Å. The B(1)-O(3) bond length is 1.42 Å. There is one shorter (1.52 Å) and one longer (1.53 Å) B(1)-O(4) bond length. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. The B(2)-O(1) bond length is 1.45 Å. The B(2)-O(2) bond length is 1.43 Å. The B(2)-O(3) bond length is 1.45 Å. The B(2)-O(4) bond length is 1.54 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Yb(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Yb(1) and two equivalent B(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Yb(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms.