MgH2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pca2_1 space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent H(2) and four equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing HMg4 tetrahedra. In the second H site, H(2) is bonded in a trigonal planar geometry to three equivalent Mg(1) atoms.
MgH2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pca2_1 space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent H(2) and four equivalent H(1) atoms. There are a spread of Mg(1)-H(2) bond distances ranging from 1.89-2.05 Å. There are a spread of Mg(1)-H(1) bond distances ranging from 1.94-2.19 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing HMg4 tetrahedra. In the second H site, H(2) is bonded in a trigonal planar geometry to three equivalent Mg(1) atoms.