NdMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), 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 Nd(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Nd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Nd(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Nd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Nd(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(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 Nd(1) atoms. In the second Br site, Br(2) is bonded in a bent 120 degrees geometry to one Nd(1) and one Nd(2) atom.
NdMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(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 Nd(1)-O(2) bond length is 2.41 Å. The Nd(1)-O(3) bond length is 2.69 Å. The Nd(1)-O(4) bond length is 2.63 Å. The Nd(1)-O(6) bond length is 2.41 Å. The Nd(1)-O(8) bond length is 2.42 Å. The Nd(1)-Br(2) bond length is 3.01 Å. Both Nd(1)-Br(1) bond lengths are 3.00 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one Br(2) atom. The Nd(2)-O(1) bond length is 2.40 Å. The Nd(2)-O(3) bond length is 2.42 Å. The Nd(2)-O(4) bond length is 2.42 Å. The Nd(2)-O(5) bond length is 2.41 Å. The Nd(2)-O(6) bond length is 2.88 Å. The Nd(2)-O(7) bond length is 2.41 Å. The Nd(2)-O(8) bond length is 2.58 Å. The Nd(2)-Br(2) bond length is 3.06 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 1.83 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 1.80 Å. The Mo(2)-O(7) bond length is 1.78 Å. The Mo(2)-O(8) bond length is 1.83 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Nd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Nd(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Nd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Nd(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(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 Nd(1) atoms. In the second Br site, Br(2) is bonded in a bent 120 degrees geometry to one Nd(1) and one Nd(2) atom.