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Title: Materials Data on Rb3Ir by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314678· OSTI ID:1314678

Rb3Ir is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to four Rb and four Ir atoms to form a mixture of distorted edge, face, and corner-sharing RbRb4Ir4 tetrahedra. All Rb–Rb bond lengths are 3.61 Å. All Rb–Ir bond lengths are 3.61 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and six Ir atoms. There are four shorter (4.13 Å) and two longer (4.24 Å) Rb–Ir bond lengths. In the third Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and six Ir atoms. There are four shorter (4.13 Å) and two longer (4.24 Å) Rb–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to fourteen Rb atoms. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to fourteen Rb 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:
1314678
Report Number(s):
mp-974949
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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