La2B3Br crystallizes in the hexagonal P-6m2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent B(1), two equivalent B(3), one Br(2), and two equivalent Br(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent B(2), three equivalent B(4), and three equivalent Br(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded to four equivalent La(1), one B(2), and two equivalent B(1) atoms to form a mixture of distorted face and edge-sharing BLa4B3 pentagonal bipyramids. In the second B site, B(2) is bonded in a 5-coordinate geometry to two equivalent La(2), one B(1), and two equivalent B(4) atoms. In the third B site, B(3) is bonded to four equivalent La(1), one B(4), and two equivalent B(3) atoms to form a mixture of distorted face and edge-sharing BLa4B3 pentagonal bipyramids. In the fourth B site, B(4) is bonded in a 5-coordinate geometry to two equivalent La(2), one B(3), and two equivalent B(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to two equivalent La(2) and four equivalent La(1) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to six equivalent La(1) atoms.
La2B3Br crystallizes in the hexagonal P-6m2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent B(1), two equivalent B(3), one Br(2), and two equivalent Br(1) atoms. Both La(1)-B(1) bond lengths are 2.71 Å. Both La(1)-B(3) bond lengths are 2.71 Å. The La(1)-Br(2) bond length is 3.31 Å. Both La(1)-Br(1) bond lengths are 3.30 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent B(2), three equivalent B(4), and three equivalent Br(1) atoms. All La(2)-B(2) bond lengths are 2.74 Å. All La(2)-B(4) bond lengths are 2.74 Å. All La(2)-Br(1) bond lengths are 3.25 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded to four equivalent La(1), one B(2), and two equivalent B(1) atoms to form a mixture of distorted face and edge-sharing BLa4B3 pentagonal bipyramids. The B(1)-B(2) bond length is 1.69 Å. Both B(1)-B(1) bond lengths are 1.66 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to two equivalent La(2), one B(1), and two equivalent B(4) atoms. Both B(2)-B(4) bond lengths are 1.90 Å. In the third B site, B(3) is bonded to four equivalent La(1), one B(4), and two equivalent B(3) atoms to form a mixture of distorted face and edge-sharing BLa4B3 pentagonal bipyramids. The B(3)-B(4) bond length is 1.68 Å. Both B(3)-B(3) bond lengths are 1.66 Å. In the fourth B site, B(4) is bonded in a 5-coordinate geometry to two equivalent La(2), one B(3), and two equivalent B(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to two equivalent La(2) and four equivalent La(1) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to six equivalent La(1) atoms.