Materials Data on Rb4NpS2ClO10 by Materials Project
Rb4NpS2O10Cl crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven O2- and one Cl1- atom to form distorted RbClO7 hexagonal bipyramids that share a cornercorner with one RbClO7 hexagonal bipyramid, a cornercorner with one SO4 tetrahedra, edges with four equivalent RbClO7 hexagonal bipyramids, and edges with two equivalent SO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.89–3.29 Å. The Rb–Cl bond length is 3.32 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.13 Å. Both Rb–Cl bond lengths are 3.37 Å. Np5+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.86 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one RbClO7 hexagonal bipyramid and edges with two equivalent RbClO7 hexagonal bipyramids. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one Np5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S6+ atom. Cl1- is bonded to six Rb1+ atoms to form edge-sharing ClRb6 octahedra.
- 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:
- 1270477
- Report Number(s):
- mp-558745
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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