Materials Data on RbEu(SO4)2 by Materials Project

Dataset · Mon Aug 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1269558· OSTI ID:1269558

RbEu(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to fourteen O2- atoms. There are a spread of Rb–O bond distances ranging from 3.11–3.57 Å. Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share corners with four equivalent SO4 tetrahedra and edges with two equivalent SO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.46–2.55 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent EuO8 hexagonal bipyramids and an edgeedge with one EuO8 hexagonal bipyramid. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Eu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1269558
• Report Number(s): mp-556821
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-O-Rb-S
RbEu(SO4)2
crystal structure