Materials Data on RbEuGeS4 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1743586· OSTI ID:1743586

RbEuGeS4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.68 Å. Eu3+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with two equivalent EuS7 pentagonal bipyramids, a cornercorner with one GeS4 tetrahedra, edges with two equivalent EuS7 pentagonal bipyramids, and edges with three equivalent GeS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 2.91–3.05 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one EuS7 pentagonal bipyramid and edges with three equivalent EuS7 pentagonal bipyramids. There are a spread of Ge–S bond distances ranging from 2.20–2.24 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Rb1+, one Eu3+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SRb3EuGe trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Eu3+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Eu3+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted see-saw-like geometry to one Rb1+, two equivalent Eu3+, and one Ge4+ 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: 1743586
• Report Number(s): mp-1219610
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-Ge-Rb-S
RbEuGeS4
crystal structure