Materials Data on RbBe2BO3F2 by Materials Project

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

DOI:https://doi.org/10.17188/1287674· OSTI ID:1287674

RbBe2BO3F2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form distorted RbF6 octahedra that share corners with six equivalent BeO3F tetrahedra and edges with six equivalent RbF6 octahedra. All Rb–F bond lengths are 2.90 Å. Be2+ is bonded to three equivalent O2- and one F1- atom to form BeO3F tetrahedra that share corners with three equivalent RbF6 octahedra and corners with three equivalent BeO3F tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Be–O bond lengths are 1.65 Å. The Be–F bond length is 1.55 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one B3+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Be2+ 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: 1287674
• Report Number(s): mp-7323
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Be-F-O-Rb
RbBe2BO3F2
crystal structure