Materials Data on RbMg6V by Materials Project

Abstract

RbMg6V crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two equivalent Rb and twelve Mg atoms. Both Rb–Rb bond lengths are 3.29 Å. There are a spread of Rb–Mg bond distances ranging from 3.74–4.03 Å. There are six inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form a mixture of corner and face-sharing MgRb2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.38 Å. In the second Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form a mixture of corner and face-sharing MgRb2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.38 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.84 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, four Mg, and two equivalent V atoms. Both Mg–Mg bond lengths are 3.38 Å. Both Mg–V bond lengths are 2.84 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, four Mg, and two equivalent V atoms. Both Mg–Mg bond lengths are 3.26 Å. Both Mg–V bond lengths are 2.81 Å. In the sixth Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form a mixture of corner and face-sharing MgRb2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.29–3.32 Å. V is bonded in a body-centered cubic geometry to eight Mg atoms.