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Title: Materials Data on CoSbO4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1302562· OSTI ID:1302562

CoSbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra and edges with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is two shorter (1.89 Å) and four longer (1.99 Å) Co–O bond length. Sb5+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share corners with four equivalent SbO6 octahedra and edges with four equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There is two shorter (1.98 Å) and four longer (2.00 Å) Sb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to two equivalent Co3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Co3+ and two equivalent Sb5+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1302562
Report Number(s):
mp-774401
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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