Materials Data on Na2Ni(SO7)2 by Materials Project
Na2Ni(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.42–2.76 Å. Ni is bonded in an octahedral geometry to six O atoms. There is four shorter (1.81 Å) and two longer (1.83 Å) Ni–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.52 Å) S–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Na and one Ni atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one S atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Na and one S atom. In the fourth O site, O is bonded in a distorted water-like geometry to one Na and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Ni atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one S atom. In the seventh O site, O is bonded in a single-bond geometry to one Ni 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:
- 1666421
- Report Number(s):
- mp-1210821
- Country of Publication:
- United States
- Language:
- English
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