Rb3YbN6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one N(2), one N(3), one N(4), one N(5), two equivalent N(1), and two equivalent N(6) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one N(1), one N(3), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(5), one N(6), two equivalent N(3), and two equivalent N(4) atoms. Yb(1) is bonded in an octahedral geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. There are six inequivalent N sites. In the first N site, N(5) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb trigonal bipyramids. In the second N site, N(6) is bonded to one Rb(2), one Rb(3), two equivalent Rb(1), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb trigonal bipyramids. In the third N site, N(1) is bonded to one Rb(2), one Rb(3), two equivalent Rb(1), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb trigonal bipyramids. In the fourth N site, N(2) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Yb(1) atom. In the fifth N site, N(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and one Yb(1) atom. In the sixth N site, N(4) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb square pyramids.
Rb3YbN6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one N(2), one N(3), one N(4), one N(5), two equivalent N(1), and two equivalent N(6) atoms. The Rb(1)-N(2) bond length is 3.04 Å. The Rb(1)-N(3) bond length is 3.12 Å. The Rb(1)-N(4) bond length is 3.08 Å. The Rb(1)-N(5) bond length is 3.21 Å. There is one shorter (3.06 Å) and one longer (3.28 Å) Rb(1)-N(1) bond length. There is one shorter (3.13 Å) and one longer (3.41 Å) Rb(1)-N(6) bond length. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one N(1), one N(3), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. The Rb(2)-N(1) bond length is 3.24 Å. The Rb(2)-N(3) bond length is 3.03 Å. The Rb(2)-N(4) bond length is 3.22 Å. The Rb(2)-N(6) bond length is 3.01 Å. There is one shorter (3.08 Å) and one longer (3.09 Å) Rb(2)-N(2) bond length. There is one shorter (3.03 Å) and one longer (3.34 Å) Rb(2)-N(5) bond length. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(5), one N(6), two equivalent N(3), and two equivalent N(4) atoms. The Rb(3)-N(1) bond length is 2.92 Å. The Rb(3)-N(2) bond length is 3.38 Å. The Rb(3)-N(5) bond length is 3.01 Å. The Rb(3)-N(6) bond length is 3.03 Å. There is one shorter (3.02 Å) and one longer (3.44 Å) Rb(3)-N(3) bond length. There is one shorter (3.07 Å) and one longer (3.14 Å) Rb(3)-N(4) bond length. Yb(1) is bonded in an octahedral geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. The Yb(1)-N(1) bond length is 2.35 Å. The Yb(1)-N(2) bond length is 2.34 Å. The Yb(1)-N(3) bond length is 2.37 Å. The Yb(1)-N(4) bond length is 2.44 Å. The Yb(1)-N(5) bond length is 2.40 Å. The Yb(1)-N(6) bond length is 2.40 Å. There are six inequivalent N sites. In the first N site, N(5) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb trigonal bipyramids. In the second N site, N(6) is bonded to one Rb(2), one Rb(3), two equivalent Rb(1), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb trigonal bipyramids. In the third N site, N(1) is bonded to one Rb(2), one Rb(3), two equivalent Rb(1), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb trigonal bipyramids. In the fourth N site, N(2) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Yb(1) atom. In the fifth N site, N(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and one Yb(1) atom. In the sixth N site, N(4) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and one Yb(1) atom to form a mixture of distorted edge, face, and corner-sharing NRb4Yb square pyramids.