Materials Data on CoP(H4O3)3 by Materials Project
CoPH2O5H2(H2O)4 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four dihydrogen molecules, sixteen water molecules, and two CoPH2O5 clusters. In each CoPH2O5 cluster, Co1+ is bonded to four O2- atoms to form distorted edge-sharing CoO4 trigonal pyramids. There is two shorter (1.83 Å) and two longer (2.08 Å) Co–O bond length. P5+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.56 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one H1+ and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co1+ and one O2- 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:
- 1664244
- Report Number(s):
- mp-1182524
- Country of Publication:
- United States
- Language:
- English
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