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Title: Materials Data on RbYbO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316267· OSTI ID:1316267

RbYbO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO6 octahedra. All Rb–O bond lengths are 3.21 Å. Yb is bonded to six O atoms to form YbO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Yb atoms. In the second O site, O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Yb atoms.

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:
1316267
Report Number(s):
mp-980537
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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