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Materials Data on Cs2Co(SO7)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1715579· OSTI ID:1715579
Cs2Co(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.68 Å. Co is bonded in a distorted octahedral geometry to six O atoms. There is two shorter (1.77 Å) and four longer (1.78 Å) Co–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Cs and one Co atom. In the fifth O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one Cs and one Co atom. In the seventh O site, O is bonded in a single-bond geometry to one Co 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:
1715579
Report Number(s):
mp-1213811
Country of Publication:
United States
Language:
English

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