Materials Data on RbCrI3 by Materials Project
RbCrI3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.18 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.74–4.15 Å. There are three inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.20 Å. In the second Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. In the third Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the sixth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ 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:
- 1201656
- Report Number(s):
- mp-27442
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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