Materials Data on RbCu2H2C3N3O by Materials Project
RbH2OCu2(CN)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two RbH2O ribbons oriented in the (1, 0, 0) direction and two Cu2(CN)3 sheets oriented in the (1, 0, 1) direction. In each RbH2O ribbon, Rb1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.90 Å) and one longer (3.07 Å) Rb–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two equivalent Rb1+ and two H1+ atoms. In each Cu2(CN)3 sheet, there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to two C2+ and one N3- atom. There is one shorter (1.88 Å) and one longer (1.89 Å) Cu–C bond length. The Cu–N bond length is 1.95 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to one C2+ and two N3- atoms. The Cu–C bond length is 1.85 Å. There is one shorter (1.92 Å) and one longer (1.98 Å) Cu–N bond length. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted linear geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a distorted linear geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Cu1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Cu1+ and one C2+ atom. In the third N3- site, N3- is bonded in a distorted linear geometry to one Cu1+ and one C2+ 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:
- 1686740
- Report Number(s):
- mp-1204475
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Rb2FeH2C5(N3O)2 by Materials Project
Materials Data on CuH4C2S2(NO)2 by Materials Project