Materials Data on ZnH4(ClO3)2 by Materials Project
ZnH4(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zn is bonded in an octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.19 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one Cl atom. The O–Cl bond length is 1.59 Å. In the second O site, O is bonded in a trigonal planar geometry to one Zn, one H, and one Cl atom. The O–Cl bond length is 1.59 Å. In the third O site, O is bonded in a distorted water-like geometry to one Zn and two H atoms. Cl is bonded in a bent 120 degrees geometry to two O atoms.
- 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:
- 1284554
- Report Number(s):
- mp-690650
- Country of Publication:
- United States
- Language:
- English
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