Materials Data on MgSb2(H4O3)6 by Materials Project
Mg(H2O)6(Sb(HO)6)2 crystallizes in the trigonal P3 space group. The structure is zero-dimensional and consists of six magnesium;hexahydrate molecules and twelve Sb(HO)6 clusters. In each Sb(HO)6 cluster, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.00 Å) and three longer (2.02 Å) Sb–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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1200197
- Report Number(s):
- mp-24696
- Country of Publication:
- United States
- Language:
- English
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