Materials Data on CoH4S(NO2)2 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1666539· OSTI ID:1666539

CoSO4(NH2)2 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional and consists of eight ammonia molecules and one CoSO4 framework. In the CoSO4 framework, Co4+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.13 Å) Co–O bond lengths. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one S2- atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one S2- 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: 1666539
• Report Number(s): mp-1199194
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-H-N-O-S
CoH4S(NO2)2
crystal structure