LuMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Lu site, Lu(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and one Br(2) 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 bent 150 degrees geometry to one Lu(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Lu(2) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Lu(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Lu(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Lu(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one Mo(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Lu(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one Lu(2) atom.
LuMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. The Lu(1)-O(2) bond length is 2.21 Å. The Lu(1)-O(4) bond length is 2.38 Å. The Lu(1)-O(6) bond length is 2.23 Å. The Lu(1)-O(8) bond length is 2.23 Å. The Lu(1)-Br(2) bond length is 2.87 Å. There is one shorter (2.85 Å) and one longer (2.89 Å) Lu(1)-Br(1) bond length. In the second Lu site, Lu(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and one Br(2) atom. The Lu(2)-O(1) bond length is 2.24 Å. The Lu(2)-O(3) bond length is 2.21 Å. The Lu(2)-O(4) bond length is 2.24 Å. The Lu(2)-O(5) bond length is 2.24 Å. The Lu(2)-O(7) bond length is 2.25 Å. The Lu(2)-O(8) bond length is 2.36 Å. The Lu(2)-Br(2) bond length is 2.99 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 1.78 Å. The Mo(1)-O(2) bond length is 1.78 Å. The Mo(1)-O(3) bond length is 1.79 Å. The Mo(1)-O(4) bond length is 1.85 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 1.78 Å. The Mo(2)-O(7) bond length is 1.79 Å. The Mo(2)-O(8) bond length is 1.86 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Lu(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Lu(2) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Lu(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Lu(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Lu(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one Mo(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Lu(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one Lu(2) atom.