YbMoO4Br 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 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(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 Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Yb(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Yb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Yb(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Yb(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Mo(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one Br(1) atom. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one Yb(1) atom.
YbMoO4Br 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 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. The Yb(1)-O(2) bond length is 2.26 Å. The Yb(1)-O(3) bond length is 2.53 Å. The Yb(1)-O(4) bond length is 2.44 Å. The Yb(1)-O(6) bond length is 2.28 Å. The Yb(1)-O(8) bond length is 2.29 Å. The Yb(1)-Br(2) bond length is 2.96 Å. There is one shorter (3.63 Å) and one longer (3.71 Å) Yb(1)-Br(1) bond length. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Yb(2)-O(1) bond length is 2.50 Å. The Yb(2)-O(3) bond length is 2.30 Å. The Yb(2)-O(4) bond length is 2.32 Å. The Yb(2)-O(5) bond length is 2.28 Å. The Yb(2)-O(6) bond length is 2.74 Å. The Yb(2)-O(7) bond length is 2.34 Å. The Yb(2)-O(8) bond length is 2.48 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mo(1)-O(1) bond length is 1.83 Å. The Mo(1)-O(2) bond length is 1.78 Å. The Mo(1)-O(3) bond length is 1.80 Å. The Mo(1)-O(4) bond length is 1.79 Å. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. The Mo(2)-O(5) bond length is 1.77 Å. The Mo(2)-O(6) bond length is 1.82 Å. The Mo(2)-O(7) bond length is 1.78 Å. The Mo(2)-O(8) bond length is 1.84 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Yb(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Yb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Yb(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Yb(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(2), and one Mo(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one Br(1) atom. The Br(1)-Br(1) bond length is 2.31 Å. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one Yb(1) atom.