Yb3B3O7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(7) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one B(3), three equivalent O(2), and three equivalent O(6) atoms. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(3), and three equivalent O(5) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second B site, B(2) is bonded in a linear geometry to two equivalent O(3) atoms. In the third B site, B(3) is bonded in a bent 120 degrees geometry to two equivalent Yb(2) and two equivalent O(6) atoms. In the fourth B site, B(4) is bonded in a 4-coordinate geometry to one O(5), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(4) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(3) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(4) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(2) atom. In the seventh O site, O(4) is bonded in a see-saw-like geometry to one Yb(1), one Yb(3), and two equivalent B(4) atoms.
Yb3B3O7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(7) atoms. The Yb(1)-O(4) bond length is 2.07 Å. There is one shorter (2.66 Å) and two longer (2.68 Å) Yb(1)-O(1) bond lengths. There are two shorter (2.28 Å) and one longer (2.32 Å) Yb(1)-O(7) bond length. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one B(3), three equivalent O(2), and three equivalent O(6) atoms. The Yb(2)-B(3) bond length is 2.57 Å. There are two shorter (2.47 Å) and one longer (2.75 Å) Yb(2)-O(2) bond length. There are two shorter (2.28 Å) and one longer (2.37 Å) Yb(2)-O(6) bond length. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(3), and three equivalent O(5) atoms. The Yb(3)-O(4) bond length is 2.07 Å. There are two shorter (2.64 Å) and one longer (2.71 Å) Yb(3)-O(3) bond length. There are two shorter (2.29 Å) and one longer (2.32 Å) Yb(3)-O(5) bond length. There are four inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to one O(1) and one O(2) atom. The B(1)-O(1) bond length is 1.26 Å. The B(1)-O(2) bond length is 1.28 Å. In the second B site, B(2) is bonded in a linear geometry to two equivalent O(3) atoms. Both B(2)-O(3) bond lengths are 1.27 Å. In the third B site, B(3) is bonded in a bent 120 degrees geometry to two equivalent Yb(2) and two equivalent O(6) atoms. Both B(3)-O(6) bond lengths are 1.37 Å. In the fourth B site, B(4) is bonded in a 4-coordinate geometry to one O(5), one O(7), and two equivalent O(4) atoms. The B(4)-O(5) bond length is 1.38 Å. The B(4)-O(7) bond length is 1.38 Å. Both B(4)-O(4) bond lengths are 1.93 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(4) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(3) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(4) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(2) atom. In the seventh O site, O(4) is bonded in a see-saw-like geometry to one Yb(1), one Yb(3), and two equivalent B(4) atoms.