Mg2Yb3H11Mg2H3 crystallizes in the hexagonal P-62m space group. The structure consists of one Mg2H3 cluster inside a Mg2Yb3H11 framework. In the Mg2H3 cluster, Mg(1) is bonded in a 3-coordinate geometry to three equivalent H(4) atoms. H(4) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. In the Mg2Yb3H11 framework, Mg(2) is bonded in a 6-coordinate geometry to six equivalent H(3) atoms. Yb(1) is bonded to two equivalent H(2), two equivalent H(3), and three equivalent H(1) atoms to form a mixture of corner and edge-sharing YbH7 pentagonal bipyramids. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted T-shaped geometry to three equivalent Yb(1) atoms. In the second H site, H(2) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. In the third H site, H(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one Yb(1) atom.
Mg2Yb3H11Mg2H3 crystallizes in the hexagonal P-62m space group. The structure consists of one Mg2H3 cluster inside a Mg2Yb3H11 framework. In the Mg2H3 cluster, Mg(1) is bonded in a 3-coordinate geometry to three equivalent H(4) atoms. All Mg(1)-H(4) bond lengths are 1.98 Å. H(4) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. In the Mg2Yb3H11 framework, Mg(2) is bonded in a 6-coordinate geometry to six equivalent H(3) atoms. All Mg(2)-H(3) bond lengths are 2.31 Å. Yb(1) is bonded to two equivalent H(2), two equivalent H(3), and three equivalent H(1) atoms to form a mixture of corner and edge-sharing YbH7 pentagonal bipyramids. Both Yb(1)-H(2) bond lengths are 1.97 Å. Both Yb(1)-H(3) bond lengths are 2.21 Å. There are two shorter (2.25 Å) and one longer (2.42 Å) Yb(1)-H(1) bond length. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted T-shaped geometry to three equivalent Yb(1) atoms. In the second H site, H(2) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. In the third H site, H(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one Yb(1) atom.