Materials Data on RbAsO2 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1204721· OSTI ID:1204721

The Materials Project

RbAsO2 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one RbAsO2 sheet oriented in the (0, 1, 0) direction. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.40 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.89 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four equivalent Rb1+ and two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one As3+ atom.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1204721
• Report Number(s): mp-30299
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
RbAsO2
As-O-Rb