TbMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-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 Tb site, Tb(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 Tb(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(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 Tb(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Tb(1) and one Tb(2) atom.
TbMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-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 Tb(1)-O(2) bond length is 2.33 Å. The Tb(1)-O(3) bond length is 2.70 Å. The Tb(1)-O(4) bond length is 2.54 Å. The Tb(1)-O(6) bond length is 2.31 Å. The Tb(1)-O(8) bond length is 2.33 Å. The Tb(1)-Br(2) bond length is 2.93 Å. There is one shorter (2.91 Å) and one longer (2.94 Å) Tb(1)-Br(1) bond length. In the second Tb site, Tb(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 Tb(2)-O(1) bond length is 2.31 Å. The Tb(2)-O(3) bond length is 2.32 Å. The Tb(2)-O(4) bond length is 2.31 Å. The Tb(2)-O(5) bond length is 2.33 Å. The Tb(2)-O(7) bond length is 2.31 Å. The Tb(2)-O(8) bond length is 2.48 Å. The Tb(2)-Br(2) bond length is 3.01 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 1.82 Å. The Mo(1)-O(4) bond length is 1.82 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 1.79 Å. The Mo(2)-O(7) bond length is 1.79 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 bent 150 degrees geometry to one Tb(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(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 Tb(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Tb(1) and one Tb(2) atom.