Materials Data on Rb4N4O3 by Materials Project
(Rb4(NO)3)2N2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one ammonia molecule and one Rb4(NO)3 ribbon oriented in the (1, 0, 0) direction. In the Rb4(NO)3 ribbon, there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. There are one shorter (2.97 Å) and one longer (3.01 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.04 Å. In the third Rb1+ site, Rb1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. There are one shorter (2.97 Å) and one longer (3.15 Å) Rb–O bond lengths. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.16 Å. There are three inequivalent N+0.50+ sites. In the first N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the second N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.26 Å. In the third N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one N+0.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one N+0.50+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one N+0.50+ 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:
- 1282522
- Report Number(s):
- mp-674708
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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