Materials Data on Rb2MgH4 by Materials Project
Rb2MgH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent H1- atoms. There are two shorter (2.84 Å) and two longer (2.88 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded to five H1- atoms to form RbH5 trigonal bipyramids that share corners with five equivalent MgH4 tetrahedra and corners with two equivalent RbH5 trigonal bipyramids. There are a spread of Rb–H bond distances ranging from 2.77–3.06 Å. Mg2+ is bonded to four H1- atoms to form MgH4 tetrahedra that share corners with five equivalent RbH5 trigonal bipyramids. There is two shorter (1.84 Å) and two longer (1.89 Å) Mg–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted linear geometry to one Rb1+ and one Mg2+ atom. In the second H1- site, H1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one Mg2+ atom. In the third H1- site, H1- is bonded in a 4-coordinate geometry to three Rb1+ and one Mg2+ 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:
- 1300329
- Report Number(s):
- mp-771160
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Rb2MgH4 by Materials Project
Materials Data on Rb2MgH4 by Materials Project