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(Rb)3Li is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one Rb framework. In the Rb framework, Rb is bonded in a 8-coordinate geometry to eight equivalent Rb atoms. All Rb–Rb bond lengths are 4.63 Å.
(Rb)3Li is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four lithium molecules and one Rb framework. In the Rb framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb atoms to form a mixture of distorted edge and corner-sharing RbRb4 tetrahedra. All Rb–Rb bond lengths are 4.46 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
(Rb)3Li crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two lithium molecules and one Rb framework. In the Rb framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight Rb atoms. There are four shorter (4.61 Å) and four longer (4.64 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Rb atoms.