YbWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent Br(1) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second W site, W(2) is bonded to one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form distorted edge-sharing WO5 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Yb(2), one W(1), and one Br(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Yb(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Yb(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent W(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one W(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to two equivalent Yb(1) atoms. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one O(1) atom.
YbWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent Br(1) atoms. The Yb(1)-O(2) bond length is 2.24 Å. The Yb(1)-O(4) bond length is 2.38 Å. The Yb(1)-O(6) bond length is 2.28 Å. The Yb(1)-O(8) bond length is 2.30 Å. There is one shorter (3.07 Å) and one longer (3.13 Å) Yb(1)-Br(1) bond length. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Yb(2)-O(1) bond length is 2.40 Å. The Yb(2)-O(3) bond length is 2.31 Å. The Yb(2)-O(4) bond length is 2.35 Å. The Yb(2)-O(5) bond length is 2.24 Å. The Yb(2)-O(7) bond length is 2.41 Å. The Yb(2)-O(8) bond length is 2.35 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The W(1)-O(1) bond length is 1.87 Å. The W(1)-O(2) bond length is 1.79 Å. The W(1)-O(3) bond length is 1.80 Å. The W(1)-O(4) bond length is 1.82 Å. In the second W site, W(2) is bonded to one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form distorted edge-sharing WO5 tetrahedra. The W(2)-O(5) bond length is 1.79 Å. The W(2)-O(6) bond length is 1.80 Å. The W(2)-O(8) bond length is 1.84 Å. There is one shorter (1.87 Å) and one longer (2.46 Å) W(2)-O(7) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Yb(2), one W(1), and one Br(2) atom. The O(1)-Br(2) bond length is 2.46 Å. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Yb(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Yb(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent W(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one W(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to two equivalent Yb(1) atoms. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one O(1) atom.